ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006230
RECORD_TITLE: PENTYL ACETATE; 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$NAME: PENTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
CH$LINK: INCHIKEY PGMYKACGEOXYJE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1027263

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$SPLASH: splash10-0089-5900000000-194750abe998f03be2a6
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  70 24.27 243
  71 40.33 403
  73 2.51 25
  74 6.39 64
  87 1.13 11
  101 11.9 119
  131 99.99 999
  132 7.62 76
//