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Morphine
SpectraBase Compound ID 4B0c0JTHuyK
InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
InChIKey BQJCRHHNABKAKU-KBQPJGBKSA-N
Mol Weight 285.34 g/mol
Molecular Formula C17H19NO3
Exact Mass 285.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mPTtbY4xpQ
Name Morphine
CAS Registry Number 57-27-2
Classification Pharmaceutical drug, analgesic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.13 (e) (1) (vi)
DEA Controlled Substance Name Not more than 50 milligrams of morphine per 100 milliliters or per 100 grams, with one or more active, nonnarcotic ingredients in recognized therapeutic amounts
DEA Controlled Substances Code Number 9810
DEA Schedule Schedule III
DEA Section Narcotic Drugs. Unless specifically excepted or unless listed in another schedule
Exact Mass 285.136493473 u
Formula C17H19NO3
InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
InChIKey BQJCRHHNABKAKU-KBQPJGBKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 285.343 g/mol
Nominal Mass 285 u
Quality 998
Retention Index 2455
SMILES O[C@]1(C=C[C@@]2([C@@]34C5=C(C(=CC=C5C[C@]2(N(CC4)C)[H])O)O[C@@]13[H])[H])[H]
SPLASH splash10-029i-3950000000-83d6d01258fc3ea67b6f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (5R,6S)-4,5-Epoxy-17-methylmorphin-7-en-3,6-diol
Technique GC/MS
Wiley ID DD2024_023177