ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002232
RECORD_TITLE: PHENYLPROPIOLIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: PHENYLPROPIOLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈O₂
CH$EXACT_MASS: 160.05243
CH$SMILES: COC(=O)C#Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H8O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,1H3
CH$LINK: INCHIKEY JFGWPXKGINUNDH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10197637

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0fb9-2900000000-01da70e9791d312ae174
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  44 4.4 44
  49 3.7 37
  50 8.5 85
  51 3.01 30
  61 4.8 48
  62 7 70
  63 6.6 66
  74 0.7 7
  75 52.7 527
  76 5.9 59
  77 6.6 66
  89 0.81 8
  98 5.5 55
  100 2.6 26
  101 30.8 308
  102 99.99 999
  103 7.8 78
  129 99.2 992
  130 30.4 304
  131 0.44 4
  160 71.7 717
  161 8.5 85
//