ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005980
RECORD_TITLE: PHENYL PROPIONATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PHENYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: CCC(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3
CH$LINK: INCHIKEY DYUMLJSJISTVPV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060916

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0006-9200000000-1b13738a93b65be3002d
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  63 1.19 12
  65 9.84 98
  74 1.06 11
  77 9.75 98
  78 1.23 12
  93 5.4 54
  94 99.99 999
  95 20.66 207
  96 1.29 13
  107 1.05 11
  121 2.05 21
  150 25.3 253
  151 5.84 58
//