ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004278
RECORD_TITLE: 2-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$NAME: 2-TOLYL ISOCYANATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7NO
CH$EXACT_MASS: 133.05276
CH$SMILES: O=C=Nc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
CH$LINK: CAS 614-68-6
CH$LINK: INCHIKEY VAYMIYBJLRRIFR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7052286
AC$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: splash10-0f89-5900000000-7540a1793a8dfee0a7da
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 1.56 16
  28 3.75 38
  29 1.46 15
  37 2.03 20
  38 3.65 37
  39 8.96 90
  50 8.33 83
  51 13.54 135
  52 9.11 91
  53 1.56 16
  61 1.3 13
  62 2.6 26
  63 6.78 68
  64 3.65 37
  65 4.64 46
  74 1.98 20
  75 3.13 31
  76 5.31 53
  77 18.54 185
  78 36.88 369
  79 7.24 72
  89 6.82 68
  90 4.11 41
  91 14.79 148
  102 1.56 16
  103 2.66 27
  104 99.99 999
  105 58.96 590
  106 6.15 62
  107 1.46 15
  132 27.19 272
  133 98.33 983
  134 8.59 86
//
