ACCESSION: MSBNK-Keio_Univ-KO009101
RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-IT; MS3; m/z: 243/226; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D166
COMMENT: [MS2] KO009100

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$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 243/226
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0563-6890000000-3b62656988412410396d
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  65.2 1.00 9
  77.2 1.31 12
  92.0 29.95 269
  93.1 67.98 611
  94.1 13.07 118
  132.1 5.61 50
  133.1 111.12 999
  134.0 3.76 34
  154.0 1.00 9
  160.1 1.15 10
  182.1 10.59 95
  183.1 10.75 97
  184.1 6.84 61
  198.1 13.43 121
  208.0 36.80 331
  209.1 39.11 352
  225.0 1.46 13
  226.1 92.54 832
//