ACCESSION: MSBNK-Keio_Univ-KO002792
RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D166

CH$NAME: 1,5-Diphenylcarbohydrazide
CH$NAME: Diphenylcarbazide
CH$COMPOUND_CLASS: Non-Natural Product
CH$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: CAS 140-22-7
CH$LINK: KEGG C11232
CH$LINK: NIKKAJI J5.651K
CH$LINK: PUBCHEM SID:13411
CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7059690

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 243
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4l-6910000000-ddecc3ba8a1f85c4ec7f
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  46.000 64356.5 5
  62.900 49505.0 4
  77.200 2252477.5 185
  78.600 79208.0 6
  80.900 44554.5 4
  90.000 133663.5 11
  91.800 5059411.0 415
  93.100 5287134.0 434
  93.800 1702972.0 140
  95.100 658416.5 54
  96.300 29703.0 2
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  100.200 24752.5 2
  105.100 3232676.5 265
  107.000 12183180.5 999
  108.300 900991.0 74
  109.300 589109.5 48
  110.400 64356.5 5
  112.000 54455.5 4
  113.200 54455.5 4
  118.200 44554.5 4
  119.100 99010.0 8
  121.300 74257.5 6
  122.900 19802.0 2
  127.200 89109.0 7
  128.300 282178.5 23
  129.000 128713.0 11
  133.100 886139.5 73
  134.300 569307.5 47
  134.900 113861.5 9
  136.200 14851.5 1
  139.100 14851.5 1
  142.600 19802.0 2
  149.100 39604.0 3
  150.200 806931.5 66
  151.300 524753.0 43
  152.300 183168.5 15
  153.600 24752.5 2
  163.100 24752.5 2
  167.100 24752.5 2
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  226.500 2336636.0 192
  243.500 133663.5 11
//