ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006223
RECORD_TITLE: METHYL HEXADECANOATE; 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$NAME: METHYL HEXADECANOATE
CH$NAME: PALMITIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY FLIACVVOZYBSBS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4029149

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$SPLASH: splash10-00di-0090000000-db5787e9b3eaac96f146
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  74 4.27 43
  76 1.15 12
  84 1.7 17
  87 6.53 65
  95 1.04 10
  143 1.11 11
  239 2.13 21
  269 11.27 113
  270 8.02 80
  271 99.99 999
  272 18.07 181
  273 2.19 22
//