ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001783
RECORD_TITLE: OCTADECANOIC ACID HEXYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: OCTADECANOIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₄₈O₂
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY SMWDEDPRQFUXNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8063042

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$SPLASH: splash10-00kr-3089000000-73eea3d895c1c24e084f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  61 8.62 86
  63 0.91 9
  67 0.79 8
  69 0.5 5
  70 0.25 3
  71 3.61 36
  73 3.6 36
  79 0.37 4
  81 1.27 13
  83 6.08 61
  84 16.62 166
  85 10.71 107
  97 1.61 16
  129 0.85 9
  220 19.27 193
  223 0.59 6
  265 2.13 21
  267 6.21 62
  268 1.2 12
  283 5.82 58
  285 90.72 907
  286 15.99 160
  287 1.69 17
  367 12.59 126
  368 9.86 99
  369 99.99 999
  370 27.39 274
  371 4.08 41
  409 0.66 7
//