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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003294

N-ETHYL-O-TOLUENESULFONAMIDE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003294
RECORD_TITLE: N-ETHYL-O-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$NAME: N-ETHYL-O-TOLUENESULFONAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13NO2S
CH$EXACT_MASS: 199.06670
CH$SMILES: CCNS(=O)(=O)c(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
CH$LINK: INCHIKEY NATWUQFQFMZVMT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5052416

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$SPLASH: splash10-0006-9700000000-939c8ed5ece25033bd37
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  44 48.8 488
  45 1.6 16
  50 3.3 33
  51 6.7 67
  52 2.2 22
  53 1.7 17
  57 1.9 19
  61 3 30
  62 11.4 114
  63 3.7 37
  65 54.7 547
  66 3 30
  77 6.8 68
  78 2.7 27
  79 2.1 21
  89 12 120
  90 22.7 227
  91 99.99 999
  92 16.8 168
  106 6.8 68
  107 5.7 57
  108 3.5 35
  109 1.6 16
  111 1.5 15
  120 7.4 74
  134 2.3 23
  137 4.9 49
  139 8 80
  154 1.7 17
  155 87.8 878
  156 6.8 68
  157 4 40
  171 6 60
  180 1.7 17
  184 41.3 413
  185 4.7 47
  186 1.7 17
  199 40.4 404
  200 8.7 87
  201 2.7 27
//

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