ACCESSION: MSBNK-Keio_Univ-KO000691
RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0006-9100000000-db36ff79a98a3718d1c8
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  42.200 3252478.5 175
  58.900 891090.0 48
  76.900 2683171.0 144
  77.600 69307.0 4
  92.200 18579226.5 999
  96.800 29703.0 2
  98.700 19802.0 1
  104.900 896040.5 48
  106.300 14851.5 1
  133.100 698020.5 38
  142.900 9901.0 1
  149.000 2381190.5 128
  225.000 44554.5 2
  241.200 222772.5 12
//