MassBank Record: KO009100



 1,5-Diphenylcarbohydrazide; LC-ESI-IT; MS2; m/z: 243; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO009100
RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-IT; MS2; m/z: 243; [M+H]+
DATE: 2011.05.10 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., 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
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60
MS$FOCUSED_ION: PRECURSOR_M/Z 243 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-004i-2590000000-bd7a2309bb7cc2079c36 PK$NUM_PEAK: 77 PK$PEAK: m/z int. rel.int. 75.0 105.76 1 77.1 3027.58 9 78.0 41.76 1 79.1 609.04 2 80.2 328.31 1 85.2 10.02 1 89.2 20.26 1 92.1 3950.86 11 93.1 56883.41 161 94.1 20141.84 57 95.1 1503.88 4 96.0 134.39 1 97.2 23.36 1 103.1 15.41 1 105.1 3200.81 9 106.0 34.34 1 107.1 105790.65 300 108.1 2861.07 8 109.0 2342.03 7 110.1 343.21 1 114.0 78.84 1 119.0 82.62 1 120.0 18.50 1 122.1 131.01 1 124.0 10.69 1 132.0 135.44 1 133.0 4663.50 13 134.1 2794.16 8 135.0 524.66 1 135.9 114.01 1 148.0 181.82 1 149.2 62.41 1 150.0 95018.47 269 151.1 2209.47 6 152.1 1930.04 5 153.5 63.27 1 160.9 55.41 1 165.1 19.34 1 166.2 122.18 1 168.1 268.29 1 169.1 361.64 1 173.2 59.55 1 174.2 14.38 1 181.1 984.15 3 182.1 847.02 2 183.1 11689.45 33 184.1 1530.55 4 185.0 116.32 1 187.1 246.51 1 189.1 17.29 1 191.0 116.46 1 193.1 83.10 1 197.0 115.93 1 198.1 1340.35 4 199.1 69.96 1 200.1 2236.80 6 201.1 351.58 1 203.0 236.85 1 207.1 234.57 1 208.2 443.94 1 209.1 2289.55 6 210.2 207.85 1 211.1 868.04 2 212.0 112.37 1 222.2 60.84 1 223.1 352.88 1 224.1 775.71 2 225.1 922.88 3 226.1 352798.10 999 227.1 1444.65 4 228.1 84.77 1 241.3 14.17 1 242.1 798.90 2 243.1 3196.46 9 244.2 74.93 1 270.9 37.31 1 288.2 82.96 1 //