"""Auto-generated reference molecule data"""
# DO NOT EDIT - generated by gen_refmol.py
from enum import StrEnum
from typing import Literal
from .dclass import RefMolInfo
[docs]
class RefMolID(StrEnum):
"""Enum of reference molecule IDs"""
ADENINE = "Adenine"
CYTOSINE = "Cytosine"
GUANINE = "Guanine"
TMT126 = "TMT126"
TMT126_ETD = "TMT126-ETD"
TMT127C = "TMT127C"
TMT127C_ETD = "TMT127C-ETD"
TMT127N = "TMT127N"
TMT127N_ETD = "TMT127N-ETD"
TMT128C = "TMT128C"
TMT128C_ETD = "TMT128C-ETD"
TMT128N = "TMT128N"
TMT128N_ETD = "TMT128N-ETD"
TMT129C = "TMT129C"
TMT129C_ETD = "TMT129C-ETD"
TMT129N = "TMT129N"
TMT129N_ETD = "TMT129N-ETD"
TMT130C = "TMT130C"
TMT130C_ETD = "TMT130C-ETD"
TMT130N = "TMT130N"
TMT130N_ETD = "TMT130N-ETD"
TMT131C = "TMT131C"
TMT131C_ETD = "TMT131C-ETD"
TMT131N = "TMT131N"
TMT131N_ETD = "TMT131N-ETD"
TMT132C = "TMT132C"
TMT132N = "TMT132N"
TMT133C = "TMT133C"
TMT133N = "TMT133N"
TMT134C = "TMT134C"
TMT134N = "TMT134N"
TMT135N = "TMT135N"
TMT2PLEX = "TMT2plex"
TMT6PLEX = "TMT6plex"
TMTPRO = "TMTpro"
TMTPRO_ZERO = "TMTpro_zero"
TMTZERO = "TMTzero"
THYMINE = "Thymine"
URACIL = "Uracil"
ITRAQ113 = "iTRAQ113"
ITRAQ114 = "iTRAQ114"
ITRAQ115 = "iTRAQ115"
ITRAQ116 = "iTRAQ116"
ITRAQ117 = "iTRAQ117"
ITRAQ118 = "iTRAQ118"
ITRAQ119 = "iTRAQ119"
ITRAQ121 = "iTRAQ121"
ITRAQ4PLEX = "iTRAQ4plex"
ITRAQ8PLEX = "iTRAQ8plex"
SIDECHAIN_A = "sidechain_A"
SIDECHAIN_C = "sidechain_C"
SIDECHAIN_D = "sidechain_D"
SIDECHAIN_E = "sidechain_E"
SIDECHAIN_F = "sidechain_F"
SIDECHAIN_G = "sidechain_G"
SIDECHAIN_H = "sidechain_H"
SIDECHAIN_I = "sidechain_I"
SIDECHAIN_J = "sidechain_J"
SIDECHAIN_K = "sidechain_K"
SIDECHAIN_L = "sidechain_L"
SIDECHAIN_M = "sidechain_M"
SIDECHAIN_N = "sidechain_N"
SIDECHAIN_O = "sidechain_O"
SIDECHAIN_Q = "sidechain_Q"
SIDECHAIN_R = "sidechain_R"
SIDECHAIN_S = "sidechain_S"
SIDECHAIN_T = "sidechain_T"
SIDECHAIN_U = "sidechain_U"
SIDECHAIN_V = "sidechain_V"
SIDECHAIN_W = "sidechain_W"
SIDECHAIN_Y = "sidechain_Y"
RefMolLiteral = Literal[
"Adenine",
"Cytosine",
"Guanine",
"TMT126",
"TMT126-ETD",
"TMT127C",
"TMT127C-ETD",
"TMT127N",
"TMT127N-ETD",
"TMT128C",
"TMT128C-ETD",
"TMT128N",
"TMT128N-ETD",
"TMT129C",
"TMT129C-ETD",
"TMT129N",
"TMT129N-ETD",
"TMT130C",
"TMT130C-ETD",
"TMT130N",
"TMT130N-ETD",
"TMT131C",
"TMT131C-ETD",
"TMT131N",
"TMT131N-ETD",
"TMT132C",
"TMT132N",
"TMT133C",
"TMT133N",
"TMT134C",
"TMT134N",
"TMT135N",
"TMT2plex",
"TMT6plex",
"TMTpro",
"TMTpro_zero",
"TMTzero",
"Thymine",
"Uracil",
"iTRAQ113",
"iTRAQ114",
"iTRAQ115",
"iTRAQ116",
"iTRAQ117",
"iTRAQ118",
"iTRAQ119",
"iTRAQ121",
"iTRAQ4plex",
"iTRAQ8plex",
"sidechain_A",
"sidechain_C",
"sidechain_D",
"sidechain_E",
"sidechain_F",
"sidechain_G",
"sidechain_H",
"sidechain_I",
"sidechain_J",
"sidechain_K",
"sidechain_L",
"sidechain_M",
"sidechain_N",
"sidechain_O",
"sidechain_Q",
"sidechain_R",
"sidechain_S",
"sidechain_T",
"sidechain_U",
"sidechain_V",
"sidechain_W",
"sidechain_Y",
]
REFMOL_DICT: dict[RefMolID, RefMolInfo] = {
RefMolID.ADENINE: RefMolInfo(
name="Adenine",
label_type="",
molecule_type="nucleobase",
chemical_formula='C5H5N5',
monoisotopic_mass=135.0544951833,
average_mass=135.1268993111841,
dict_composition={'C': 5, 'H': 5, 'N': 5},
),
RefMolID.CYTOSINE: RefMolInfo(
name="Cytosine",
label_type="",
molecule_type="nucleobase",
chemical_formula='C4H5N3O',
monoisotopic_mass=111.04326179401,
average_mass=111.10216191587554,
dict_composition={'C': 4, 'H': 5, 'N': 3, 'O': 1},
),
RefMolID.GUANINE: RefMolInfo(
name="Guanine",
label_type="",
molecule_type="nucleobase",
chemical_formula='C5H5N5O',
monoisotopic_mass=151.04940980287,
average_mass=151.12630423550237,
dict_composition={'C': 5, 'H': 5, 'N': 5, 'O': 1},
),
RefMolID.TMT126: RefMolInfo(
name="TMT126",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C8N1H15',
monoisotopic_mass=125.12044948788001,
average_mass=125.21170169616444,
dict_composition={'C': 8, 'N': 1, 'H': 15},
),
RefMolID.TMT126_ETD: RefMolInfo(
name="TMT126-ETD",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C7N1H15',
monoisotopic_mass=113.12044948788001,
average_mass=113.2009657994292,
dict_composition={'C': 7, 'N': 1, 'H': 15},
),
RefMolID.TMT127C: RefMolInfo(
name="TMT127C",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C7[13C1]N1H15',
monoisotopic_mass=126.12380432295001,
average_mass=126.2043206344992,
dict_composition={'C': 7, '13C': 1, 'N': 1, 'H': 15},
),
RefMolID.TMT127C_ETD: RefMolInfo(
name="TMT127C-ETD",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C7N1H15',
monoisotopic_mass=113.12044948788001,
average_mass=113.2009657994292,
dict_composition={'C': 7, 'N': 1, 'H': 15},
),
RefMolID.TMT127N: RefMolInfo(
name="TMT127N",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C8[15N1]H15',
monoisotopic_mass=126.11748438233,
average_mass=126.20510738359864,
dict_composition={'C': 8, '15N': 1, 'H': 15},
),
RefMolID.TMT127N_ETD: RefMolInfo(
name="TMT127N-ETD",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C7[15N1]H15',
monoisotopic_mass=114.11748438233,
average_mass=114.1943714868634,
dict_composition={'C': 7, '15N': 1, 'H': 15},
),
RefMolID.TMT128C: RefMolInfo(
name="TMT128C",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C6[13C2]N1H15',
monoisotopic_mass=127.12715915802,
average_mass=127.19693957283394,
dict_composition={'C': 6, '13C': 2, 'N': 1, 'H': 15},
),
RefMolID.TMT128C_ETD: RefMolInfo(
name="TMT128C-ETD",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C5[13C2]N1H15',
monoisotopic_mass=115.12715915802,
average_mass=115.1862036760987,
dict_composition={'C': 5, '13C': 2, 'N': 1, 'H': 15},
),
RefMolID.TMT128N: RefMolInfo(
name="TMT128N",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C7[13C1][15N1]H15',
monoisotopic_mass=127.1208392174,
average_mass=127.1977263219334,
dict_composition={'C': 7, '13C': 1, '15N': 1, 'H': 15},
),
RefMolID.TMT128N_ETD: RefMolInfo(
name="TMT128N-ETD",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C7[15N1]H15',
monoisotopic_mass=114.11748438233,
average_mass=114.1943714868634,
dict_composition={'C': 7, '15N': 1, 'H': 15},
),
RefMolID.TMT129C: RefMolInfo(
name="TMT129C",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C5[13C3]N1H15',
monoisotopic_mass=128.13051399309,
average_mass=128.18955851116868,
dict_composition={'C': 5, '13C': 3, 'N': 1, 'H': 15},
),
RefMolID.TMT129C_ETD: RefMolInfo(
name="TMT129C-ETD",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C5[13C2]N1H15',
monoisotopic_mass=115.12715915802,
average_mass=115.1862036760987,
dict_composition={'C': 5, '13C': 2, 'N': 1, 'H': 15},
),
RefMolID.TMT129N: RefMolInfo(
name="TMT129N",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C6[13C2][15N1]H15',
monoisotopic_mass=128.12419405247,
average_mass=128.19034526026815,
dict_composition={'C': 6, '13C': 2, '15N': 1, 'H': 15},
),
RefMolID.TMT129N_ETD: RefMolInfo(
name="TMT129N-ETD",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C5[13C2][15N1]H15',
monoisotopic_mass=116.12419405247,
average_mass=116.1796093635329,
dict_composition={'C': 5, '13C': 2, '15N': 1, 'H': 15},
),
RefMolID.TMT130C: RefMolInfo(
name="TMT130C",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C4[13C4]N1H15',
monoisotopic_mass=129.13386882816,
average_mass=129.18217744950346,
dict_composition={'C': 4, '13C': 4, 'N': 1, 'H': 15},
),
RefMolID.TMT130C_ETD: RefMolInfo(
name="TMT130C-ETD",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C3[13C4]N1H15',
monoisotopic_mass=117.13386882816,
average_mass=117.1714415527682,
dict_composition={'C': 3, '13C': 4, 'N': 1, 'H': 15},
),
RefMolID.TMT130N: RefMolInfo(
name="TMT130N",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C5[13C3][15N1]H15',
monoisotopic_mass=129.12754888754,
average_mass=129.18296419860292,
dict_composition={'C': 5, '13C': 3, '15N': 1, 'H': 15},
),
RefMolID.TMT130N_ETD: RefMolInfo(
name="TMT130N-ETD",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C5[13C2][15N1]H15',
monoisotopic_mass=116.12419405247,
average_mass=116.1796093635329,
dict_composition={'C': 5, '13C': 2, '15N': 1, 'H': 15},
),
RefMolID.TMT131C: RefMolInfo(
name="TMT131C",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C3[13C5]N1H15',
monoisotopic_mass=130.13722366323,
average_mass=130.17479638783823,
dict_composition={'C': 3, '13C': 5, 'N': 1, 'H': 15},
),
RefMolID.TMT131C_ETD: RefMolInfo(
name="TMT131C-ETD",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C3[13C4]N1H15',
monoisotopic_mass=117.13386882816,
average_mass=117.1714415527682,
dict_composition={'C': 3, '13C': 4, 'N': 1, 'H': 15},
),
RefMolID.TMT131N: RefMolInfo(
name="TMT131N",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C4[13C4][15N1]H15',
monoisotopic_mass=130.13090372261,
average_mass=130.17558313693763,
dict_composition={'C': 4, '13C': 4, '15N': 1, 'H': 15},
),
RefMolID.TMT131N_ETD: RefMolInfo(
name="TMT131N-ETD",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C3[13C4][15N1]H15',
monoisotopic_mass=118.13090372261,
average_mass=118.1648472402024,
dict_composition={'C': 3, '13C': 4, '15N': 1, 'H': 15},
),
RefMolID.TMT132C: RefMolInfo(
name="TMT132C",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C2[13C6]N1H15',
monoisotopic_mass=131.14057849830002,
average_mass=131.16741532617294,
dict_composition={'C': 2, '13C': 6, 'N': 1, 'H': 15},
),
RefMolID.TMT132N: RefMolInfo(
name="TMT132N",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C3[13C5][15N1]H15',
monoisotopic_mass=131.13425855768,
average_mass=131.1682020752724,
dict_composition={'C': 3, '13C': 5, '15N': 1, 'H': 15},
),
RefMolID.TMT133C: RefMolInfo(
name="TMT133C",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C1[13C7]N1H15',
monoisotopic_mass=132.14393333337,
average_mass=132.16003426450771,
dict_composition={'C': 1, '13C': 7, 'N': 1, 'H': 15},
),
RefMolID.TMT133N: RefMolInfo(
name="TMT133N",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C2[13C6][15N1]H15',
monoisotopic_mass=132.13761339275,
average_mass=132.16082101360718,
dict_composition={'C': 2, '13C': 6, '15N': 1, 'H': 15},
),
RefMolID.TMT134C: RefMolInfo(
name="TMT134C",
label_type="TMT",
molecule_type="reporter",
chemical_formula='[13C8]N1H15',
monoisotopic_mass=133.14728816844,
average_mass=133.15265320284246,
dict_composition={'13C': 8, 'N': 1, 'H': 15},
),
RefMolID.TMT134N: RefMolInfo(
name="TMT134N",
label_type="TMT",
molecule_type="reporter",
chemical_formula='C1[13C7][15N1]H15',
monoisotopic_mass=133.14096822782,
average_mass=133.1534399519419,
dict_composition={'C': 1, '13C': 7, '15N': 1, 'H': 15},
),
RefMolID.TMT135N: RefMolInfo(
name="TMT135N",
label_type="TMT",
molecule_type="reporter",
chemical_formula='[13C8][15N1]H15',
monoisotopic_mass=134.14432306289,
average_mass=134.14605889027666,
dict_composition={'13C': 8, '15N': 1, 'H': 15},
),
RefMolID.TMT2PLEX: RefMolInfo(
name="TMT2plex",
label_type="TMT2plex",
molecule_type="reporter+balance",
chemical_formula='C11[13C1]H20N2O2',
monoisotopic_mass=225.15583272767,
average_mass=225.29248105180142,
dict_composition={'C': 11, '13C': 1, 'H': 20, 'N': 2, 'O': 2},
),
RefMolID.TMT6PLEX: RefMolInfo(
name="TMT6plex",
label_type="TMT6plex",
molecule_type="reporter+balance",
chemical_formula='C8[13C4]H20N1[15N1]O2',
monoisotopic_mass=229.16293212732998,
average_mass=229.26374355423985,
dict_composition={'C': 8, '13C': 4, 'H': 20, 'N': 1, '15N': 1, 'O': 2},
),
RefMolID.TMTPRO: RefMolInfo(
name="TMTpro",
label_type="TMTpro",
molecule_type="reporter+balance",
chemical_formula='C8[13C7]H25[15N2]N1O3',
monoisotopic_mass=304.20714531214,
average_mass=304.3130256529271,
dict_composition={'C': 8, '13C': 7, 'H': 25, '15N': 2, 'N': 1, 'O': 3},
),
RefMolID.TMTPRO_ZERO: RefMolInfo(
name="TMTpro_zero",
label_type="TMTpro_zero",
molecule_type="reporter+balance",
chemical_formula='C15H25N3O3',
monoisotopic_mass=295.18959167775006,
average_mass=295.3778817097154,
dict_composition={'C': 15, 'H': 25, 'N': 3, 'O': 3},
),
RefMolID.TMTZERO: RefMolInfo(
name="TMTzero",
label_type="TMTzero",
molecule_type="reporter+balance",
chemical_formula='C12H20N2O2',
monoisotopic_mass=224.1524778926,
average_mass=224.29986211346665,
dict_composition={'C': 12, 'H': 20, 'N': 2, 'O': 2},
),
RefMolID.THYMINE: RefMolInfo(
name="Thymine",
label_type="",
molecule_type="nucleobase",
chemical_formula='C5H6N2O2',
monoisotopic_mass=126.04292744137999,
average_mass=126.11354027953905,
dict_composition={'C': 5, 'H': 6, 'N': 2, 'O': 2},
),
RefMolID.URACIL: RefMolInfo(
name="Uracil",
label_type="",
molecule_type="nucleobase",
chemical_formula='C4H4N2O2',
monoisotopic_mass=112.02727737692001,
average_mass=112.08692287469225,
dict_composition={'C': 4, 'H': 4, 'N': 2, 'O': 2},
),
RefMolID.ITRAQ113: RefMolInfo(
name="iTRAQ113",
label_type="iTRAQ",
molecule_type="reporter",
chemical_formula='C6N2H12',
monoisotopic_mass=112.10004839562,
average_mass=112.17311085197241,
dict_composition={'C': 6, 'N': 2, 'H': 12},
),
RefMolID.ITRAQ114: RefMolInfo(
name="iTRAQ114",
label_type="iTRAQ",
molecule_type="reporter",
chemical_formula='C5[13C1]N2H12',
monoisotopic_mass=113.10340323068999,
average_mass=113.16572979030717,
dict_composition={'C': 5, '13C': 1, 'N': 2, 'H': 12},
),
RefMolID.ITRAQ115: RefMolInfo(
name="iTRAQ115",
label_type="iTRAQ",
molecule_type="reporter",
chemical_formula='C5[13C1]N1[15N1]H12',
monoisotopic_mass=114.10043812514,
average_mass=114.15913547774137,
dict_composition={'C': 5, '13C': 1, 'N': 1, '15N': 1, 'H': 12},
),
RefMolID.ITRAQ116: RefMolInfo(
name="iTRAQ116",
label_type="iTRAQ",
molecule_type="reporter",
chemical_formula='C4[13C2]N1[15N1]H12',
monoisotopic_mass=115.10379296021,
average_mass=115.15175441607612,
dict_composition={'C': 4, '13C': 2, 'N': 1, '15N': 1, 'H': 12},
),
RefMolID.ITRAQ117: RefMolInfo(
name="iTRAQ117",
label_type="iTRAQ",
molecule_type="reporter",
chemical_formula='C3[13C3]N1[15N1]H12',
monoisotopic_mass=116.10714779528001,
average_mass=116.14437335441087,
dict_composition={'C': 3, '13C': 3, 'N': 1, '15N': 1, 'H': 12},
),
RefMolID.ITRAQ118: RefMolInfo(
name="iTRAQ118",
label_type="iTRAQ",
molecule_type="reporter",
chemical_formula='C3[13C3][15N2]H12',
monoisotopic_mass=117.10418268973001,
average_mass=117.13777904184508,
dict_composition={'C': 3, '13C': 3, '15N': 2, 'H': 12},
),
RefMolID.ITRAQ119: RefMolInfo(
name="iTRAQ119",
label_type="iTRAQ",
molecule_type="reporter",
chemical_formula='C2[13C4][15N2]H12',
monoisotopic_mass=118.1075375248,
average_mass=118.13039798017984,
dict_composition={'C': 2, '13C': 4, '15N': 2, 'H': 12},
),
RefMolID.ITRAQ121: RefMolInfo(
name="iTRAQ121",
label_type="iTRAQ",
molecule_type="reporter",
chemical_formula='[13C6][15N2]H12',
monoisotopic_mass=120.11424719494,
average_mass=120.11563585684934,
dict_composition={'13C': 6, '15N': 2, 'H': 12},
),
RefMolID.ITRAQ4PLEX: RefMolInfo(
name="iTRAQ4plex",
label_type="iTRAQ4plex",
molecule_type="reporter+balance",
chemical_formula='C4[13C3]N1[15N1]O1H12',
monoisotopic_mass=144.10206241485002,
average_mass=144.15451417546439,
dict_composition={'C': 4, '13C': 3, 'N': 1, '15N': 1, 'O': 1, 'H': 12},
),
RefMolID.ITRAQ8PLEX: RefMolInfo(
name="iTRAQ8plex",
label_type="iTRAQ8plex",
molecule_type="reporter+balance",
chemical_formula='C7[13C7]N3[15N1]O3H24',
monoisotopic_mass=304.20535938989,
average_mass=304.3076465261476,
dict_composition={'C': 7, '13C': 7, 'N': 3, '15N': 1, 'O': 3, 'H': 24},
),
RefMolID.SIDECHAIN_A: RefMolInfo(
name="sidechain_A",
label_type="",
molecule_type="sidechain",
chemical_formula='C1H3',
monoisotopic_mass=15.02347509669,
average_mass=15.03455815890258,
dict_composition={'C': 1, 'H': 3},
),
RefMolID.SIDECHAIN_C: RefMolInfo(
name="sidechain_C",
label_type="",
molecule_type="sidechain",
chemical_formula='C1H3S1',
monoisotopic_mass=46.99554627109,
average_mass=47.09934556502965,
dict_composition={'C': 1, 'H': 3, 'S': 1},
),
RefMolID.SIDECHAIN_D: RefMolInfo(
name="sidechain_D",
label_type="",
molecule_type="sidechain",
chemical_formula='C2H2O2',
monoisotopic_mass=58.0054793036,
average_mass=58.036163150218606,
dict_composition={'C': 2, 'H': 2, 'O': 2},
),
RefMolID.SIDECHAIN_E: RefMolInfo(
name="sidechain_E",
label_type="",
molecule_type="sidechain",
chemical_formula='C3H4O2',
monoisotopic_mass=72.02112936806,
average_mass=72.06278055506542,
dict_composition={'C': 3, 'H': 4, 'O': 2},
),
RefMolID.SIDECHAIN_F: RefMolInfo(
name="sidechain_F",
label_type="",
molecule_type="sidechain",
chemical_formula='C7H7',
monoisotopic_mass=91.05477522561,
average_mass=91.13073655553718,
dict_composition={'C': 7, 'H': 7},
),
RefMolID.SIDECHAIN_G: RefMolInfo(
name="sidechain_G",
label_type="",
molecule_type="sidechain",
chemical_formula='H1',
monoisotopic_mass=1.00782503223,
average_mass=1.0079407540557772,
dict_composition={'H': 1},
),
RefMolID.SIDECHAIN_H: RefMolInfo(
name="sidechain_H",
label_type="",
molecule_type="sidechain",
chemical_formula='C4H5N2',
monoisotopic_mass=81.04527317000999,
average_mass=81.09605378011148,
dict_composition={'C': 4, 'H': 5, 'N': 2},
),
RefMolID.SIDECHAIN_I: RefMolInfo(
name="sidechain_I",
label_type="",
molecule_type="sidechain",
chemical_formula='C4H9',
monoisotopic_mass=57.07042529007,
average_mass=57.114410373442986,
dict_composition={'C': 4, 'H': 9},
),
RefMolID.SIDECHAIN_J: RefMolInfo(
name="sidechain_J",
label_type="",
molecule_type="sidechain",
chemical_formula='C4H9',
monoisotopic_mass=57.07042529007,
average_mass=57.114410373442986,
dict_composition={'C': 4, 'H': 9},
),
RefMolID.SIDECHAIN_K: RefMolInfo(
name="sidechain_K",
label_type="",
molecule_type="sidechain",
chemical_formula='C4H10N1',
monoisotopic_mass=72.08132432673,
average_mass=72.12905433894457,
dict_composition={'C': 4, 'H': 10, 'N': 1},
),
RefMolID.SIDECHAIN_L: RefMolInfo(
name="sidechain_L",
label_type="",
molecule_type="sidechain",
chemical_formula='C4H9',
monoisotopic_mass=57.07042529007,
average_mass=57.114410373442986,
dict_composition={'C': 4, 'H': 9},
),
RefMolID.SIDECHAIN_M: RefMolInfo(
name="sidechain_M",
label_type="",
molecule_type="sidechain",
chemical_formula='C3H7S1',
monoisotopic_mass=75.02684640001,
average_mass=75.15258037472324,
dict_composition={'C': 3, 'H': 7, 'S': 1},
),
RefMolID.SIDECHAIN_N: RefMolInfo(
name="sidechain_N",
label_type="",
molecule_type="sidechain",
chemical_formula='C2H4N1O1',
monoisotopic_mass=58.029288752919996,
average_mass=58.05934294545768,
dict_composition={'C': 2, 'H': 4, 'N': 1, 'O': 1},
),
RefMolID.SIDECHAIN_O: RefMolInfo(
name="sidechain_O",
label_type="",
molecule_type="sidechain",
chemical_formula='C9H17N2O1',
monoisotopic_mass=169.13408817634001,
average_mass=169.2444272367753,
dict_composition={'C': 9, 'H': 17, 'N': 2, 'O': 1},
),
RefMolID.SIDECHAIN_Q: RefMolInfo(
name="sidechain_Q",
label_type="",
molecule_type="sidechain",
chemical_formula='C3H6N1O1',
monoisotopic_mass=72.04493881738,
average_mass=72.08596035030448,
dict_composition={'C': 3, 'H': 6, 'N': 1, 'O': 1},
),
RefMolID.SIDECHAIN_R: RefMolInfo(
name="sidechain_R",
label_type="",
molecule_type="sidechain",
chemical_formula='C4H10N3',
monoisotopic_mass=100.08747233559001,
average_mass=100.14246076183616,
dict_composition={'C': 4, 'H': 10, 'N': 3},
),
RefMolID.SIDECHAIN_S: RefMolInfo(
name="sidechain_S",
label_type="",
molecule_type="sidechain",
chemical_formula='C1H3O1',
monoisotopic_mass=31.01838971626,
average_mass=31.033963083220858,
dict_composition={'C': 1, 'H': 3, 'O': 1},
),
RefMolID.SIDECHAIN_T: RefMolInfo(
name="sidechain_T",
label_type="",
molecule_type="sidechain",
chemical_formula='C2H5O1',
monoisotopic_mass=45.03403978072,
average_mass=45.06058048806766,
dict_composition={'C': 2, 'H': 5, 'O': 1},
),
RefMolID.SIDECHAIN_U: RefMolInfo(
name="sidechain_U",
label_type="",
molecule_type="sidechain",
chemical_formula='C1H3Se1',
monoisotopic_mass=94.93999689668999,
average_mass=93.9939467159162,
dict_composition={'C': 1, 'H': 3, 'Se': 1},
),
RefMolID.SIDECHAIN_V: RefMolInfo(
name="sidechain_V",
label_type="",
molecule_type="sidechain",
chemical_formula='C3H7',
monoisotopic_mass=43.05477522561,
average_mass=43.08779296859618,
dict_composition={'C': 3, 'H': 7},
),
RefMolID.SIDECHAIN_W: RefMolInfo(
name="sidechain_W",
label_type="",
molecule_type="sidechain",
chemical_formula='C9H8N1',
monoisotopic_mass=130.06567426227,
average_mass=130.16685231450924,
dict_composition={'C': 9, 'H': 8, 'N': 1},
),
RefMolID.SIDECHAIN_Y: RefMolInfo(
name="sidechain_Y",
label_type="",
molecule_type="sidechain",
chemical_formula='C7H7O1',
monoisotopic_mass=107.04968984518,
average_mass=107.13014147985547,
dict_composition={'C': 7, 'H': 7, 'O': 1},
),
}