MassBank Record: KO002792



 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002792
RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute 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$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 243 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4l-6910000000-ddecc3ba8a1f85c4ec7f PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 46.000 64356.5 5 62.900 49505.0 4 77.200 2252477.5 185 78.600 79208.0 6 80.900 44554.5 4 90.000 133663.5 11 91.800 5059411.0 415 93.100 5287134.0 434 93.800 1702972.0 140 95.100 658416.5 54 96.300 29703.0 2 99.100 44554.5 4 100.200 24752.5 2 105.100 3232676.5 265 107.000 12183180.5 999 108.300 900991.0 74 109.300 589109.5 48 110.400 64356.5 5 112.000 54455.5 4 113.200 54455.5 4 118.200 44554.5 4 119.100 99010.0 8 121.300 74257.5 6 122.900 19802.0 2 127.200 89109.0 7 128.300 282178.5 23 129.000 128713.0 11 133.100 886139.5 73 134.300 569307.5 47 134.900 113861.5 9 136.200 14851.5 1 139.100 14851.5 1 142.600 19802.0 2 149.100 39604.0 3 150.200 806931.5 66 151.300 524753.0 43 152.300 183168.5 15 153.600 24752.5 2 163.100 24752.5 2 167.100 24752.5 2 168.000 9901.0 1 169.600 29703.0 2 175.200 54455.5 4 176.300 173267.5 14 179.000 29703.0 2 181.400 49505.0 4 182.200 133663.5 11 182.900 267327.0 22 184.300 54455.5 4 189.000 29703.0 2 198.500 400990.5 33 208.100 1108912.0 91 209.000 89109.0 7 226.500 2336636.0 192 243.500 133663.5 11 //