MassBank Record: KO009101

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1,5-Diphenylcarbohydrazide; LC-ESI-IT; MS3; m/z: 243/226; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: KO009101
RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-IT; MS3; m/z: 243/226; [M+H]+
DATE: 2011.12.05 (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 //