ACCESSION: MSBNK-Keio_Univ-KO002795
RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-004l-9000000000-762331414266b89184b9
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  65.200 1376239.0 323
  66.000 143564.5 34
  77.200 4252479.5 999
  78.000 178218.0 42
  78.900 113861.5 27
  79.900 247525.0 58
  81.200 34653.5 8
  83.500 14851.5 3
  90.100 34653.5 8
  91.000 193069.5 45
  92.100 1311882.5 308
  93.000 1094060.5 257
  94.300 133663.5 31
  95.000 316832.0 74
  105.400 59406.0 14
  107.200 356436.0 84
  108.200 326733.0 77
  109.200 183168.5 43
  133.900 24752.5 6
  135.200 29703.0 7
  180.900 19802.0 5
//