ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006987
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY JSHDAORXSNJOBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90177674

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$SPLASH: splash10-0006-9100000000-65c44990c986622035d4
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  14 1.11 11
  15 1.09 11
  26 1.58 16
  27 15.5 155
  29 6.34 63
  31 1.21 12
  39 10.83 108
  41 31.25 313
  42 17.55 176
  43 99.99 999
  44 1.91 19
  45 3.6 36
  53 1.53 15
  55 8.74 87
  56 5.85 59
  57 3.32 33
  58 1.08 11
  59 18.05 181
  60 49.48 495
  61 6.86 69
  69 4.67 47
  70 4.17 42
  71 21.68 217
  72 1.54 15
  73 13.31 133
  74 2.44 24
  75 1.25 13
  83 1.04 10
  87 7.39 74
  89 2.37 24
  97 1.77 18
  98 1.06 11
  99 69.53 695
  100 4.7 47
  102 18.97 190
  103 1.39 14
  116 10.9 109
  117 36.68 367
  118 2.44 24
  143 2.85 29
//