MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010382

3-PHENYLPROPIONIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010382
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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0f6x-9800000000-6d3e3634b1663556c431
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  43 1.6 16
  65 3.4 34
  77 3.1 31
  78 1.06 11
  79 4.5 45
  91 99.99 999
  92 9 90
  103 0.32 3
  104 41.4 414
  105 15.5 155
  106 1.5 15
  107 0.1 1
  131 1.5 15
  132 1.3 13
  150 49.7 497
  151 5.7 57
//