ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006504
RECORD_TITLE: 2-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$NAME: 2-HEXYL BUTYRATE
CH$NAME: 1-METHYLPENTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCC(C)OC(=O)CCC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-6-8-9(3)12-10(11)7-5-2/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY LRUMZDICEGQZIB-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$SPLASH: splash10-00dl-9000000000-b2c48bf095ddeef0c971
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 16.32 163
  28 2.51 25
  29 12.12 121
  39 7.54 75
  40 1.05 11
  41 22.06 221
  42 11.28 113
  43 65.49 655
  44 2.88 29
  45 3.38 34
  55 12.14 121
  56 13.09 131
  57 4.31 43
  60 3.2 32
  69 6.17 62
  71 99.99 999
  72 4.94 49
  73 1.78 18
  84 17.28 173
  85 12.84 128
  86 2.65 27
  88 7.51 75
  89 12.17 122
  101 2.13 21
  115 12.8 128
//
