ACCESSION: JP001780
RECORD_TITLE: HEXADECANOIC ACID HEXYL ESTER; EI-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$NAME: HEXADECANOIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₄O₂
CH$EXACT_MASS: 340.33413
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h3-21H2,1-2H3
CH$LINK: INCHIKEY IOVYZELOJXWQKD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4068373

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01q9-9020000000-df166aec8f02264c7088
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  28 1.82 18
  56 11.62 116
  60 9.18 92
  61 66.93 669
  69 1.28 13
  71 5.89 59
  73 19.27 193
  84 99.99 999
  85 22.24 222
  98 5.98 60
  129 11.1 111
  141 1.79 18
  145 2.31 23
  157 4.07 41
  207 1.8 18
  213 3.17 32
  239 7.22 72
  256 8.31 83
  257 33.05 331
  258 4.04 40
  340 4.08 41
//