ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006959
RECORD_TITLE: 3-PHENYLPROPYL BUTYRATE; 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$NAME: 3-PHENYLPROPYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O2
CH$EXACT_MASS: 206.13068
CH$SMILES: CCCC(=O)OCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
CH$LINK: INCHIKEY IWBHCESPSIQPME-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1064663
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$SPLASH: splash10-014i-6900000000-f0baf07b16566c201abc
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 9.07 91
  28 1.46 15
  29 1.54 15
  39 7.19 72
  41 12.17 122
  42 2.03 20
  43 24.2 242
  51 3.41 34
  52 1 10
  63 1.62 16
  65 7.53 75
  71 12.21 122
  77 5.61 56
  78 3.27 33
  79 2.43 24
  89 1.55 16
  91 35.54 355
  92 3.46 35
  103 3.5 35
  104 2.09 21
  105 3.33 33
  115 2.5 25
  116 2.64 26
  117 68.9 689
  118 99.99 999
  119 10.55 106
//
