ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006991
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
CH$LINK: COMPTOX DTXSID7062245
CH$LINK: INCHIKEY XVSZRAWFCDHCBP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:16617

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$SPLASH: splash10-00dl-9000000000-ce193357386508bde105
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 12.68 127
  29 13.99 140
  39 8.12 81
  41 23.48 235
  42 12.14 121
  43 61.29 613
  44 1.75 18
  45 1.79 18
  53 1.72 17
  55 27.72 277
  56 2.84 28
  57 1.84 18
  60 3.94 39
  61 1.19 12
  69 5.36 54
  70 99.99 999
  71 41.11 411
  72 2.11 21
  73 3.07 31
  87 2.2 22
  99 42.7 427
  100 2.62 26
  115 1.33 13
  116 1.25 13
  117 10.43 104
  143 1.86 19
//