ACCESSION: MSBNK-Keio_Univ-KO000690
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 241
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0005-6900000000-2844ac7dc1bd85edea9a
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  42.000 1806932.5 58
  59.200 752476.0 24
  77.200 4534658.0 146
  92.200 19975267.5 644
  96.700 24752.5 1
  104.900 1584160.0 51
  106.300 212871.5 7
  119.100 29703.0 1
  121.300 14851.5 1
  129.900 29703.0 1
  130.700 99010.0 3
  133.000 3673271.0 118
  134.200 59406.0 2
  134.900 49505.0 2
  143.800 9901.0 1
  148.900 30980229.0 999
  151.300 9901.0 1
  159.100 39604.0 1
  173.300 9901.0 1
  181.000 39604.0 1
  197.300 44554.5 1
  204.600 14851.5 1
  225.000 64356.5 2
  241.400 2400992.5 77
//