ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006222
RECORD_TITLE: METHYL PENTADECANOATE; 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$NAME: METHYL PENTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY XIUXKAZJZFLLDQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4040769

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$SPLASH: splash10-0a4i-0090000000-9defc108d9e9b9745ab6
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  84 1.09 11
  87 5.82 58
  143 1.17 12
  223 1.09 11
  225 2.46 25
  255 10.58 106
  256 7.08 71
  257 99.99 999
  258 17.82 178
  259 2.02 20
//