ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006540
RECORD_TITLE: METHYL HEPTANOATE; 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$NAME: METHYL HEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY XNCNNDVCAUWAIT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3059345

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$SPLASH: splash10-00dl-9000000000-c75583daf34e71035579
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 6.84 68
  27 12.17 122
  29 11.2 112
  31 1.5 15
  39 9.36 94
  41 21.78 218
  42 5.65 57
  43 32.18 322
  45 1.64 16
  53 1.47 15
  55 13.77 138
  56 4.22 42
  57 4.69 47
  59 15.26 153
  69 4.11 41
  73 1.95 20
  74 99.99 999
  75 6.44 64
  83 1.46 15
  84 4 40
  85 2.45 25
  87 33.58 336
  88 3.58 36
  101 12.04 120
  113 13.85 139
  115 2.28 23
//