ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007178
RECORD_TITLE: 3-PHENYLPROPYL ISOBUTYRATE; 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$NAME: 3-PHENYLPROPYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O2
CH$EXACT_MASS: 206.13068
CH$SMILES: CC(C)C(=O)OCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
CH$LINK: INCHIKEY VBTAKMZSMFMLGT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7059276
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$SPLASH: splash10-014i-6900000000-1f95902461c802bf7017
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 9.07 91
  28 1.23 12
  39 6.58 66
  41 13.77 138
  42 1.35 14
  43 32.97 330
  44 1.35 14
  51 3.45 35
  52 1.04 10
  63 1.5 15
  65 8.59 86
  71 6.97 70
  77 4.68 47
  78 3.33 33
  79 2.45 25
  89 1.71 17
  91 38.6 386
  92 3.71 37
  103 3.2 32
  104 1.99 20
  105 3.39 34
  115 2.24 22
  116 2.58 26
  117 69.39 694
  118 99.99 999
  119 10.99 110
//
