ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009852
RECORD_TITLE: N-ETHYL-PARA-TOLUENESULFONAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: N-ETHYL-PARA-TOLUENESULFONAMIDE
CH$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$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0006-9200000000-11d8300a231f9d807dc8
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 2.8 28
  28 3.9 39
  29 1.7 17
  30 0.2 2
  39 16.3 163
  41 6.3 63
  42 2.3 23
  43 0.52 5
  44 29.5 295
  51 6.4 64
  59 3.6 36
  63 0.94 9
  64 4.2 42
  65 33.8 338
  77 5.2 52
  89 0.88 9
  90 19.1 191
  91 99.99 999
  92 12.5 125
  106 0.36 4
  120 5.9 59
  136 2.8 28
  155 35.5 355
  184 1.53 15
  199 14.1 141
//