ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009061
RECORD_TITLE: 2-METHYLBUTYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHYLBUTYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCC(=O)OCC(C)CC
CH$IUPAC: InChI=1S/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3
CH$LINK: CAS 2601-13-0
CH$LINK: INCHIKEY ZWMQVDONBUJJLL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30862996
AC$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: splash10-00dm-9000000000-20aa570a85d13750ee19
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 15.45 155
  29 25.43 254
  31 1.65 17
  39 10.8 108
  41 31.05 311
  42 15.97 160
  43 72.17 722
  44 1.85 19
  45 2.82 28
  53 1.95 20
  55 26.11 261
  56 4.78 48
  57 6.38 64
  60 11.21 112
  61 2.08 21
  69 4.41 44
  70 99.99 999
  71 53.1 531
  72 3.36 34
  73 6.7 67
  74 1.16 12
  85 1.08 11
  87 5.15 52
  99 94.44 944
  100 6.35 64
  101 1.01 10
  115 1.19 12
  116 3.64 36
  117 10.21 102
  129 1.17 12
  130 1.14 11
//
