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Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5..alpha.,6.alpha.)-
SpectraBase Compound ID CJ1Ke7xS9Sn
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-UHFFFAOYSA-N
Mol Weight 285.34 g/mol
Molecular Formula C17H19NO3
Exact Mass 285.136493 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 28yZPXKoat1
Name Morphine ##
CAS Registry Number 57-27-2
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-310.00]
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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+/m1/s1
InChIKey BQJCRHHNABKAKU-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC=1C=CC2=C3[C@@]45C(C(C=CC4[C@@](C2)(N(C)CC5)[H])O)OC13
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD