ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003293
RECORD_TITLE: N-ETHYL-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$NAME: N-ETHYL-P-TOLUENESULFONAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃NO₂S
CH$EXACT_MASS: 199.06670
CH$SMILES: CCNS(=O)(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
CH$LINK: INCHIKEY OHPZPBNDOVQJMH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025310

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$SPLASH: splash10-0536-6900000000-2e57f0f16b27e878cd64
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  50 2.6 26
  51 5.9 59
  52 1.7 17
  53 1.3 13
  61 2 20
  62 8.5 85
  63 2.9 29
  65 32.3 323
  66 1.9 19
  77 4.5 45
  78 1.5 15
  79 1.7 17
  89 8.4 84
  90 5 50
  91 95.8 958
  92 16.9 169
  106 1.6 16
  107 2.1 21
  108 1.3 13
  120 1.8 18
  134 1.3 13
  139 3.3 33
  155 99.99 999
  156 10 100
  157 6.1 61
  182 1.4 14
  184 87.1 871
  185 8.1 81
  186 4.1 41
  198 1.3 13
  199 33.6 336
  200 9.2 92
  201 2.4 24
//