MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002573

BENZONITRILE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002573
RECORD_TITLE: BENZONITRILE; EI-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

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CH$NAME: BENZONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅N
CH$EXACT_MASS: 103.04220
CH$SMILES: N#Cc(c1)cccc1
CH$IUPAC: InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
CH$LINK: INCHIKEY JFDZBHWFFUWGJE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021491

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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 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0udi-8900000000-f750495507e669f6e253
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  26 2.01 20
  27 1.6 16
  37 3.03 30
  38 2.99 30
  39 5.15 52
  49 2.22 22
  50 15.28 153
  51 7.79 78
  51.5 3.26 33
  52 4.55 46
  61 1.1 11
  62 1 10
  63 2.66 27
  64 1.62 16
  73 1.24 12
  74 3.53 35
  75 7.14 71
  76 33.88 339
  77 5.71 57
  99 1.16 12
  102 1.81 18
  103 99.99 999
  104 8.35 84
//