MassBank Record: KO000646



 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000646
RECORD_TITLE: 2,4-Dinitrophenol; 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 D097

CH$NAME: 2,4-Dinitrophenol CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4N2O5 CH$EXACT_MASS: 184.01202 CH$SMILES: [O-1][N+1](=O)c(c1)cc([N+1]([O-1])=O)c(O)c1 CH$IUPAC: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H CH$LINK: CAS 51-28-5 CH$LINK: KEGG C02496 CH$LINK: NIKKAJI J1.909G CH$LINK: PUBCHEM SID:5508
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 183 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0abi-1900000000-68bdd4eb6e5974914142 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 38.000 44554.5 1 39.200 336634.0 3 40.000 84158.5 1 41.100 148515.0 1 42.000 707921.5 6 45.000 44554.5 1 46.100 4925747.5 44 50.200 99010.0 1 50.900 6648521.5 59 52.200 425743.0 4 53.200 128713.0 1 56.700 14851.5 1 58.800 34653.5 1 61.300 14851.5 1 62.800 44554.5 1 64.300 831684.0 7 65.300 49505.0 1 66.000 227723.0 2 67.100 103960.5 1 69.000 579208.5 5 73.200 153465.5 1 78.300 103960.5 1 79.200 11247536.0 99 81.100 292079.5 3 81.700 44554.5 1 82.900 168317.0 1 83.400 118812.0 1 85.300 34653.5 1 89.900 44554.5 1 90.900 183168.5 2 92.300 346535.0 3 93.000 351485.5 3 95.200 36470333.5 322 96.000 108911.0 1 97.200 69307.0 1 105.900 252475.5 2 107.000 886139.5 8 108.100 965347.5 9 109.100 113000113.0 999 110.000 49505.0 1 111.900 29703.0 1 119.900 3089112.0 27 121.500 44554.5 1 123.000 87980286.0 778 125.100 599010.5 5 135.900 405941.0 4 137.100 89544644.0 792 140.100 133663.5 1 153.000 34247559.0 303 181.900 103960.5 1 183.100 27648542.5 244 //