MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000922

3-PHENYLPROPIONONITRILE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000922
RECORD_TITLE: 3-PHENYLPROPIONONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KAMEOKA H, DEPT. OF APPLIED CHEMISTRY, FAC. OF SCI. AND ENGINEERING, KINKI UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 3-PHENYLPROPIONONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉N
CH$EXACT_MASS: 131.07350
CH$SMILES: N#CCCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
CH$LINK: INCHIKEY ACRWYXSKEHUQDB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4060949

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AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0006-9200000000-c15196ced049b8e3681a
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  39 13.4 134
  50 9.6 96
  51 13.5 135
  63 0.58 6
  65 17.3 173
  77 7.7 77
  91 99.99 999
  92 1.15 12
  103 3.9 39
  131 30.8 308
  132 5.8 58
//