ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008562
RECORD_TITLE: PHENYL 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$NAME: PHENYL BUTYRATE
CH$NAME: BUTYRIC ACID PHENYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CCCC(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
CH$LINK: INCHIKEY IGVPBCZDHMIOJH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30195857

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$SPLASH: splash10-0006-9000000000-1fad10cfe43dc1f09a35
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  26 1.15 12
  27 15.55 156
  28 1.88 19
  29 1.74 17
  38 2.68 27
  39 23.51 235
  40 2.47 25
  41 15.34 153
  42 2.91 29
  43 71.6 716
  44 1.99 20
  50 1.75 18
  51 5.91 59
  55 7.51 75
  63 2.9 29
  64 1.48 15
  65 15.33 153
  66 7.18 72
  70 2.24 22
  71 48.57 486
  72 1.86 19
  77 8.87 89
  93 1.61 16
  94 99.99 999
  95 8.07 81
  164 15.74 157
  165 1.5 15
//