ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003295
RECORD_TITLE: P-TOLUENESULFONAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: P-TOLUENESULFONAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₉NO₂S
CH$EXACT_MASS: 171.03540
CH$SMILES: Cc(c1)ccc(c1)S(N)(=O)=O
CH$IUPAC: InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
CH$LINK: INCHIKEY LMYRWZFENFIFIT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8029105

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9600000000-ceda5ca56c475ad0f2b3
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  50 3.6 36
  51 6.6 66
  52 2.4 24
  53 1.9 19
  61 3 30
  62 9.6 96
  63 2.6 26
  65 27.5 275
  66 2 20
  77 6.4 64
  78 2.2 22
  79 3.2 32
  89 11.5 115
  90 36.6 366
  91 99.99 999
  92 6.8 68
  105 1.9 19
  106 27.3 273
  107 19.3 193
  108 10.4 104
  109 1.7 17
  136 1.5 15
  137 8.1 81
  139 5.1 51
  154 5.1 51
  155 28.8 288
  156 2.4 24
  157 1.5 15
  171 49.6 496
  172 4.9 49
  173 2.4 24
//