ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006225
RECORD_TITLE: METHYL OCTADECANOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL OCTADECANOATE
CH$NAME: STEARIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₈O₂
CH$EXACT_MASS: 298.28718
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
CH$LINK: INCHIKEY HPEUJPJOZXNMSJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047640

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0002-1091000000-a8ca040a24cfff37f7e8
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  74 4.35 44
  83 1.04 10
  84 1.38 14
  85 1.1 11
  87 6.71 67
  129 1.03 10
  143 1.89 19
  267 2.17 22
  297 15.03 150
  298 9.65 97
  299 99.99 999
  300 21.68 217
  301 2.76 28
//