ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006219
RECORD_TITLE: HEPTYL DECANOATE; 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$NAME: HEPTYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCC(=O)OCCCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-3-5-7-9-10-11-13-15-17(18)19-16-14-12-8-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY MPLLSYWBBPPERF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30208895

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$SPLASH: splash10-00di-2590000000-629cb228ff289bc8ca83
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  84 3.23 32
  85 2.16 22
  87 1.28 13
  95 1.17 12
  97 6.32 63
  98 15.22 152
  99 2.09 21
  129 1.81 18
  143 1.18 12
  153 2.3 23
  155 15.46 155
  156 1.54 15
  171 5.47 55
  172 2.41 24
  173 49.32 493
  174 5.78 58
  213 2.55 26
  269 5.92 59
  270 2.49 25
  271 99.99 999
  272 19.1 191
  273 2.23 22
//