ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007081
RECORD_TITLE: 3-PHENYLPROPYL ISOVALERATE; 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$NAME: 3-PHENYLPROPYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20O2
CH$EXACT_MASS: 220.14633
CH$SMILES: CC(C)CC(=O)OCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
CH$LINK: INCHIKEY LBNFCOMOXOWXCD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50202931
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$SPLASH: splash10-014i-8900000000-bd7f39a5199a6656fcc4
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 6.74 67
  29 8.73 87
  39 8.9 89
  41 20.33 203
  42 2.97 30
  43 7.57 76
  51 3.04 30
  52 1.02 10
  55 1.44 14
  57 20.67 207
  63 1.5 15
  65 7.84 78
  77 5.42 54
  78 3.04 30
  79 2.11 21
  85 7.63 76
  89 1.3 13
  91 41.28 413
  92 4.35 44
  103 3 30
  104 1.9 19
  105 2.39 24
  115 1.99 20
  116 2.04 20
  117 49.13 491
  118 99.99 999
  119 12.01 120
//
