MassBank Record: KO000645



 2,4-Dinitrophenol; 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: KO000645
RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 183 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-c84e9386e3bb5b82491b PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 39.100 24752.5 1 42.200 49505.0 1 46.000 133663.5 1 50.900 321782.5 1 52.300 44554.5 1 53.900 14851.5 1 59.200 29703.0 1 64.100 99010.0 1 65.300 24752.5 1 66.200 29703.0 1 69.200 94059.5 1 69.400 14851.5 1 72.700 99010.0 1 79.100 3980202.0 11 81.400 133663.5 1 83.100 133663.5 1 84.400 29703.0 1 85.400 79208.0 1 92.000 34653.5 1 92.600 44554.5 1 95.200 4103964.5 11 96.300 113861.5 1 101.200 64356.5 1 107.000 376238.0 1 108.100 623763.0 2 109.200 5584164.0 15 110.500 24752.5 1 111.900 34653.5 1 120.100 79208.0 1 120.800 24752.5 1 123.000 49846584.5 135 125.300 371287.5 1 136.100 227723.0 1 137.100 33509934.5 90 139.000 44554.5 1 140.000 202970.5 1 151.900 39604.0 1 153.000 71856507.5 194 166.100 19802.0 1 180.800 49505.0 1 182.000 123762.5 1 183.100 369960766.0 999 //