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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010351

DIPHENYLCARBAZIDE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010351
RECORD_TITLE: DIPHENYLCARBAZIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DIPHENYLCARBAZIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14N4O
CH$EXACT_MASS: 242.11676
CH$SMILES: O=C(NNc(c2)cccc2)NNc(c1)cccc1
CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)
CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7059690

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0pbc-9500000000-8f61f60f3768ad7fb183
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  26 1.3 13
  27 4.05 41
  28 2.58 26
  29 9.89 99
  30 1.81 18
  31 1.97 20
  37 1.93 19
  38 4.93 49
  39 17.23 172
  40 2.27 23
  41 1.76 18
  42 1.06 11
  43 4.24 42
  44 21.33 213
  50 8.35 84
  51 23.58 236
  52 8.02 80
  53 3.69 37
  62 1.62 16
  63 5.65 57
  64 6.35 64
  65 25.28 253
  66 3.93 39
  74 1.96 20
  75 1.35 14
  76 1.91 19
  77 49.77 498
  78 15.81 158
  79 7.59 76
  80 5.31 53
  81 1.27 13
  91 12.82 128
  92 32.86 329
  93 65.53 655
  94 7.94 79
  105 4.32 43
  106 3.39 34
  107 30.09 301
  108 99.99 999
  109 7.87 79
  134 3.11 31
  150 2.13 21
  151 61.18 612
  152 11 110
  242 10.7 107
  243 2.75 28
//

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