ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003163
RECORD_TITLE: CODEINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIZUMI H, FAC. OF PHARMACY, MEIJO UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CODEINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₁NO₃
CH$EXACT_MASS: 299.15214
CH$SMILES: CN(C5)C(C3)C([H])(C=4)C(C5)(C(C(O)C4)1)c(c23)c(c(O)cc(C)2)O1
CH$IUPAC: InChI=1S/C18H21NO3/c1-9-7-14(21)16-15-10(9)8-12-11-3-4-13(20)17(22-16)18(11,15)5-6-19(12)2/h3-4,7,11-13,17,20-21H,5-6,8H2,1-2H3/t11-,12?,13-,17-,18-/m0/s1
CH$LINK: INCHIKEY VULIEHRIVFMVDQ-OJHGLTBHSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-001i-0091000000-f73e21d3c945e1bbbe0d
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  257 3 30
  281 6 60
  282 99.99 999
  283 21 210
  284 4 40
  298 7 70
  299 5 50
  300 18 180
  301 4 40
//