ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006428
RECORD_TITLE: METHYL OCTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY JGHZJRVDZXSNKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026864

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dl-9000000000-11d861be484d298f17df
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 7.29 73
  27 14.11 141
  29 16.22 162
  31 1.43 14
  39 9.47 95
  41 25.71 257
  42 8.03 80
  43 25.73 257
  45 1.71 17
  53 1.73 17
  55 18.09 181
  56 2.66 27
  57 15.07 151
  59 13.87 139
  67 1.16 12
  69 5.93 59
  70 1.16 12
  73 1.62 16
  74 99.99 999
  75 7.13 71
  83 1.76 18
  84 2.54 25
  87 37.89 379
  88 3.94 39
  97 1.1 11
  98 1.32 13
  101 5.51 55
  115 6.13 61
  127 7.82 78
  129 2.21 22
//