ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008092
RECORD_TITLE: N'-PHENYLBENZOTHIOCARBOHYDRAZIDE; 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$NAME: N'-PHENYLBENZOTHIOCARBOHYDRAZIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₂N₂S
CH$EXACT_MASS: 228.07212
CH$SMILES: S=C(NNc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H12N2S/c16-13(11-7-3-1-4-8-11)15-14-12-9-5-2-6-10-12/h1-10,14H,(H,15,16)
CH$LINK: INCHIKEY AWAWNMNDLBQMDV-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-HX-100
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 22 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00bc-3950000000-2ab4d6a5269aaacbd918
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  15 0.12 1
  28 0.67 7
  32 0.22 2
  33 0.15 2
  34 0.25 3
  36 0.27 3
  38 0.2 2
  39 0.26 3
  40 0.14 1
  41 0.21 2
  42 0.16 2
  44 0.17 2
  45 0.68 7
  47 0.13 1
  51 0.19 2
  53 0.17 2
  54 0.13 1
  56 0.11 1
  57 0.15 2
  61 0.14 1
  62 0.14 1
  63 0.29 3
  64 1.05 11
  65 7.3 73
  66 1.37 14
  67 0.13 1
  69 0.14 1
  71 0.14 1
  77 6.65 67
  78 1.02 10
  79 0.41 4
  80 0.8 8
  81 0.55 6
  90 0.22 2
  91 30.9 309
  92 18.59 186
  93 9.92 99
  94 0.67 7
  97 0.42 4
  98 0.11 1
  102 0.2 2
  104 6.83 68
  105 1.36 14
  106 0.19 2
  107 5.85 59
  108 0.37 4
  109 1.07 11
  110 0.14 1
  114 0.54 5
  116 0.1 1
  117 0.13 1
  118 0.27 3
  119 17.01 170
  120 1.63 16
  121 89.56 896
  122 9.73 97
  123 6.19 62
  124 1.34 13
  125 8.2 82
  126 0.81 8
  127 0.48 5
  131 0.23 2
  133 0.13 1
  135 0.29 3
  136 0.35 4
  143 0.14 1
  147 0.14 1
  149 0.65 7
  150 0.42 4
  155 0.13 1
  159 0.13 1
  162 0.14 1
  164 0.13 1
  165 0.62 6
  166 0.52 5
  167 1.23 12
  168 0.45 5
  170 0.15 2
  178 0.14 1
  188 0.52 5
  189 0.28 3
  192 0.4 4
  193 1.72 17
  194 29.27 293
  195 6.28 63
  196 0.39 4
  199 0.29 3
  200 0.16 2
  205 0.13 1
  210 0.13 1
  211 0.13 1
  212 0.17 2
  226 0.19 2
  227 2.79 28
  228 99.99 999
  229 18.69 187
  230 6.67 67
  231 0.99 10
//