ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003179
RECORD_TITLE: PHENAZOCINE; 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$NAME: PHENAZOCINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₇NO
CH$EXACT_MASS: 321.20926
CH$SMILES: c(c4)ccc(c4)CCN(C3)C(C1)C(C)C(C)(C3)c(c2)c(ccc(O)2)1
CH$IUPAC: InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22+/m1/s1
CH$LINK: INCHIKEY ZQHYKVKNPWDQSL-XGRCMKMKSA-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$SPLASH: splash10-00di-0039000000-dc26841205dfa59ceccd
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  229 52 520
  230 9 90
  319 33 330
  320 9 90
  321 99.99 999
  322 25 250
//