ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002096
RECORD_TITLE: TOLUENE-2,4-DIISOCYANATE; 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$NAME: TOLUENE-2,4-DIISOCYANATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₆N₂O₂
CH$EXACT_MASS: 174.04293
CH$SMILES: O=C=Nc(c1)cc(N=C=O)c(C)c1
CH$IUPAC: InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
CH$LINK: INCHIKEY DVKJHBMWWAPEIU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7026156

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$SPLASH: splash10-00dj-3900000000-347a0157566e6fd204bf
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  26 1.29 13
  27 3.65 37
  37 1.53 15
  38 3.24 32
  39 5.12 51
  40 1.77 18
  41 1.65 17
  44 8.42 84
  45.5 1.18 12
  50 4.71 47
  51 7 70
  52 4.65 47
  53 1.47 15
  58.5 1.06 11
  59 3.83 38
  62 1.47 15
  63 4.24 42
  64 5.18 52
  65 2.53 25
  66 1.24 12
  72.5 1 10
  73 1.35 14
  75 2.06 21
  76 5.59 56
  77 5.47 55
  78 2.12 21
  87 3.24 32
  90 4.71 47
  91 9.65 97
  102 2.35 24
  103 3 30
  104 1.77 18
  106 1.18 12
  117 3.65 37
  118 7.3 73
  119 6.47 65
  120 1.82 18
  132 13.48 135
  133 1.18 12
  145 37.79 378
  146 29.02 290
  147 3 30
  173 26.43 264
  174 99.99 999
  175 10.36 104
//