MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001370

PHENYL ISOCYANATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001370
RECORD_TITLE: PHENYL ISOCYANATE; 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$NAME: PHENYL ISOCYANATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅NO
CH$EXACT_MASS: 119.03711
CH$SMILES: O=C=Nc(c1)cccc1
CH$IUPAC: InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
CH$LINK: INCHIKEY DGTNSSLYPYDJGL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5051521

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-014i-9800000000-e9dab12b4b75a24bbf57
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  45 2.43 24
  50 4.49 45
  51 5.71 57
  52 3.48 35
  59 3.54 35
  61 1.36 14
  62 2.54 25
  63 8.85 89
  64 26.36 264
  65 5.1 51
  77 1.03 10
  90 2.1 21
  91 41.03 410
  92 2.8 28
  119 99.99 999
  120 8.67 87
//