mol_weights.py

# used for unit conversion of concentration
# divide concentration by the molecular weight for each analyte
mol_weights = {
    'glyoxylic acid': 74.0,
    'hexanoic acid': 116.15,
    'isobutyruc acid': 88.11,
    "3-hydroxyanthranilic acid": 153.1,
    "3-hydroxykynurenine": 224.2,
    "5-hydroxyindole acetic acid": 191.2,
    "beta-nicotinamide mononucleotide": 334.22,
    "citrulline": 175.2,
    "dopamine": 153.18,
    "indole-3-acetic acid": 175.18,
    "kynurenic acid": 189.2,
    "kynurenine": 208.2,
    "melatonin": 232.3,
    "neopterin": 253.2,
    "nicotinamide adenine dinucleotide": 663.4,
    "nicotinamide riboside": 255.2,
    "nicotinic acid": 123.1,
    "picolinic acid": 123.1,
    "quinolinic acid": 167.1,
    "serotonin": 176.2,
    "sil 3-hydroxyanthranilic acid d3": 153.14,
    "sil 3-hydroxykynurenine 13c215n": 227.19,
    "sil 5-hydroxyindole acetic acid d5": 196.21,
    "sil beta-nicotinamide mononucleotide d3": 258.1,
    "sil citrulline d7": 175.19,
    "sil dopamine d4": 153.18,
    "sil indole-3-acetic acid d4": 175.2,
    "sil kynurenic acid d5": 194.2,
    "sil kynurenine d4": 212.24,
    "sil neopterin 13c5": 253.2,
    "sil nicotinamide riboside d3": 258.1,
    "sil nicotinic acid d4": 127.13,
    "sil picolinic acid d3": 123.11,
    "sil quinolinic acid d3": 170.14,
    "sil tryptophan d5": 209.26,
    "sil xanthurenic acid d4": 209.19,
    "tryptophan": 204.2,
    "xanthurenic acid": 205.2,
    "ca-cholic acid": 408.6,
    "ca-d4": 496.7,
    'cdca-chenodeoxycholic acid': 392.5,
    "cada-d4": 396.6,
    "cdca-d4": 396.6,
    "dca-d4": 396.6,
    "dca-deoxycholic acid": 392.5,
    "gca-d4": 396.6,
    "gcdca-d4": 396.6,
    "gudca-d4": 453.7,
    "gdca-d4": 396.6,
    "glca-d4": 396.6,
    "lca-d4": 396.6,
    "tca-d4": 541.7,
    "tcdca-d4": 525.7,
    "tdca-d4": 503.7,
    "tudca-d4": 503.7,
    "tlca-d4": 487.7,
    "udca-d4": 396.6,
    "gca_glycocholic acid": 465.6,
    "gcdca_glycochenodeoxycholic acid": 449.6,
    "gdca_glycodeoxycholic acid": 449.6,
    "glca_glycolithocholic acid": 433.6,
    "gudca_glycoursodeoxycholic acid": 449.6,
    "lca_lithocholic acid": 376.6,
    "tca_taurocholic acid": 515.7,
    "tcdca_taurochenodeoxycholic acid": 499.7,
    "tdca_taurodeoxycholic acid": 499.7,
    "tlca_taurolithocholic acid": 483.71,
    "tudca_tauroursodeoxycholic acid": 499.7036,
    "udca_ursodeoxycholic acid": 392.56,
    "thdca_taurohyodeoxycholic acid": 499.71
}