MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006710

3-PHENYLPROPIONIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006710
RECORD_TITLE: 3-PHENYLPROPIONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: 3-PHENYLPROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: OC(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047064

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AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9400000000-6b08d11fe7d8828ea0b4
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  39 7.6 76
  50 3.4 34
  51 12 120
  63 0.34 3
  65 10.3 103
  77 14.5 145
  78 13.7 137
  79 0.85 9
  91 99.99 999
  92 14.5 145
  103 7.7 77
  104 4.79 48
  105 22.2 222
  150 35.9 359
  151 9.4 94
//