ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003296
RECORD_TITLE: N-CYCLOHEXYL-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$NAME: N-CYCLOHEXYL-P-TOLUENESULFONAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₉NO₂S
CH$EXACT_MASS: 253.11365
CH$SMILES: Cc(c2)ccc(c2)S(=O)(=O)NC(C1)CCCC1
CH$IUPAC: InChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3
CH$LINK: INCHIKEY DKYVVNLWACXMDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1024885

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$SPLASH: splash10-0k97-9540000000-b1595521daccb5ccb6b3
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  43 5.7 57
  44 2.7 27
  51 3.8 38
  53 1.9 19
  54 6.5 65
  55 6 60
  62 4.1 41
  65 17.5 175
  66 1.6 16
  67 3 30
  77 3.2 32
  79 1.9 19
  81 3.2 32
  82 4.9 49
  89 4.1 41
  90 3.8 38
  91 60.1 601
  92 8.5 85
  98 34.6 346
  99 3.5 35
  105 3.2 32
  106 4.1 41
  107 3.2 32
  108 2.1 21
  133 4.9 49
  139 3.2 32
  146 2.1 21
  155 67.8 678
  156 6.5 65
  157 4.1 41
  171 3.2 32
  172 9.3 93
  211 14.5 145
  212 5.4 54
  224 5.7 57
  253 49.7 497
  254 8.5 85
  255 3 30
//