ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006224
RECORD_TITLE: METHYL HEPTADECANOATE; 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$NAME: METHYL HEPTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₆O₂
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
CH$LINK: INCHIKEY HUEBIMLTDXKIPR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3061924

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$SPLASH: splash10-000i-0090000000-b9c138fdf089111b9883
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  74 4.81 48
  84 1.39 14
  87 6.9 69
  143 1.67 17
  253 2.07 21
  283 12.78 128
  284 9.15 92
  285 99.99 999
  286 20.29 203
  287 2.53 25
//