ACCESSION: MSBNK-Keio_Univ-KO002791
RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-002f-1490000000-82765abd798d06a2a246
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
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  82.400 24752.5 1
  82.800 14851.5 1
  89.800 168317.0 10
  91.900 663367.0 38
  93.100 3366340.0 191
  94.200 1594061.0 91
  95.100 44554.5 3
  98.900 19802.0 1
  99.400 34653.5 2
  105.100 678218.5 39
  105.800 118812.0 7
  107.100 5608916.5 319
  108.100 108911.0 6
  109.300 128713.0 7
  111.200 24752.5 1
  111.900 54455.5 3
  113.000 19802.0 1
  117.200 54455.5 3
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  120.900 59406.0 3
  126.600 39604.0 2
  128.000 297030.0 17
  128.700 44554.5 3
  133.000 257426.0 15
  134.100 138614.0 8
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  150.400 6118818.0 348
  151.200 316832.0 18
  153.000 94059.5 5
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  183.100 480198.5 27
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  225.100 222772.5 13
  226.200 15356451.0 873
  243.300 17564374.0 999
//