ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004274
RECORD_TITLE: 4-TOLYL ISOCYANATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 4-TOLYL ISOCYANATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇NO
CH$EXACT_MASS: 133.05276
CH$SMILES: O=C=Nc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
CH$LINK: CAS 622-58-2
CH$LINK: INCHIKEY MGYGFNQQGAQEON-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060755

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-2900000000-98e5c80214e341bee61e
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  26 1.25 13
  27 2.08 21
  38 1.66 17
  39 4.3 43
  50 4.3 43
  51 6.51 65
  52 4.78 48
  62 1.39 14
  63 3.53 35
  64 1.73 17
  65 2.77 28
  75 1.73 17
  76 2.77 28
  77 9.7 97
  78 11.92 119
  79 2.08 21
  90 1.39 14
  91 10.46 105
  103 1.87 19
  104 38.46 385
  105 20.65 207
  106 2.01 20
  132 51.77 518
  133 99.99 999
  134 9.01 90
//