ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006505
RECORD_TITLE: 3-HEXYL BUTYRATE; 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$NAME: 3-HEXYL BUTYRATE
CH$NAME: 1-ETHYLBUTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCC(=O)OC(CC)CCC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-7-9(6-3)12-10(11)8-5-2/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY RCEHZMJZHHUGOL-UHFFFAOYSA-N
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$SPLASH: splash10-00dl-9000000000-aa33a4957de9e0753119
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 13.55 136
  28 2.2 22
  29 8.81 88
  31 1.2 12
  39 5.85 59
  41 17.25 173
  42 8 80
  43 53.48 535
  44 2.08 21
  55 9.22 92
  56 8.32 83
  57 3.9 39
  59 1.27 13
  60 2.21 22
  69 4.62 46
  71 99.99 999
  72 5.16 52
  73 1.62 16
  84 12.77 128
  85 8.34 83
  88 3.98 40
  89 7.43 74
  101 1.48 15
  129 5.01 50
  143 3.8 38
//
