MassBank Record: KO000644



 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000644
RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 183 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-d0edc53122fee24d0bfe PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 59.000 34653.5 1 74.900 24752.5 1 79.100 19802.0 1 109.200 118812.0 1 121.200 59406.0 1 122.600 638614.5 1 123.500 59406.0 1 124.700 9901.0 1 136.900 628713.5 1 139.200 44554.5 1 153.000 1707922.5 2 165.000 44554.5 1 181.700 118812.0 1 183.100 753287882.0 999 //