ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011295
RECORD_TITLE: THIOBENZAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: THIOBENZAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NS
CH$EXACT_MASS: 137.02992
CH$SMILES: NC(=S)c(c1)cccc1
CH$IUPAC: InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
CH$LINK: CAS 2227-79-4
CH$LINK: INCHIKEY QIOZLISABUUKJY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8062280

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0f9i-5900000000-b3b926ef69c0e81f5e20
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  18 1.6 16
  27 2.15 22
  28 1.76 18
  32 1.29 13
  37 1.82 18
  38 2.84 28
  39 6.1 61
  44 3.46 35
  45 1.7 17
  49 1.6 16
  50 16.13 161
  51 30.82 308
  52 7.55 76
  60 12.57 126
  61 1.17 12
  62 1.7 17
  63 3.21 32
  64 5.13 51
  65 3 30
  66 1.3 13
  68 1.59 16
  69 3.06 31
  73 1.56 16
  74 7.11 71
  75 6.08 61
  76 12.84 128
  77 78.44 784
  78 18.25 183
  79 1.74 17
  91 2.61 26
  93 1.12 11
  96 1.2 12
  102 1.64 16
  103 20.72 207
  104 54.87 549
  105 59.42 594
  106 4.18 42
  108 2.51 25
  109 4.62 46
  110 2.29 23
  119 1.62 16
  120 1.19 12
  121 60.16 602
  122 7.31 73
  123 1.48 15
  128 2.85 29
  134 1.09 11
  135 65.54 655
  136 17.18 172
  137 99.99 999
  138 10.08 101
  139 4.15 42
//