ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006417
RECORD_TITLE: PHENYLETHYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PHENYLETHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
CH$LINK: INCHIKEY WFNDDSQUKATKNX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047604

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$SPLASH: splash10-0udi-8900000000-8538af1bf42be4bf1d8e
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 8.27 83
  29 1.17 12
  39 5.18 52
  41 7.95 80
  42 1.83 18
  43 29.4 294
  51 4.1 41
  63 1.31 13
  65 4.54 45
  71 23.03 230
  77 6.94 69
  78 2.87 29
  79 2.76 28
  91 9.4 94
  92 1.15 12
  103 4.56 46
  104 99.99 999
  105 17.04 170
  106 1.02 10
//