ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010795
RECORD_TITLE: ORTHO-TOLUENESULFONAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-TOLUENESULFONAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₉NO₂S
CH$EXACT_MASS: 171.03540
CH$SMILES: Cc(c1)c(ccc1)S(N)(=O)=O
CH$IUPAC: InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
CH$LINK: INCHIKEY YCMLQMDWSXFTIF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021362

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0006-9400000000-d46a6ace1b3589e48012
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  41 2.81 28
  48 1.2 12
  50 4.31 43
  51 7.36 74
  52 1.98 20
  53 1.18 12
  62 3.17 32
  63 10.66 107
  64 3.46 35
  65 26.32 263
  66 1.75 18
  69 1.04 10
  74 1.26 13
  75 1.4 14
  76 3.59 36
  77 6.84 68
  78 4.11 41
  79 2.72 27
  89 19.78 198
  90 99.99 999
  91 75.17 752
  92 6.09 61
  103 1.68 17
  106 61.59 616
  107 15.46 155
  108 3.39 34
  109 1.85 19
  119 1.87 19
  136 2.02 20
  137 15.21 152
  138 1.59 16
  154 10.96 110
  155 2.65 27
  167 1.97 20
  171 31.65 317
  172 2.84 28
  173 1.64 16
//