MassBank Record: KO000647



 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000647
RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 183 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-3900000000-e783e75f0ce9280a1b98 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 39.000 316832.0 2 40.100 94059.5 1 41.100 574258.0 4 41.900 742575.0 5 46.000 12603973.0 91 50.000 198020.0 1 51.100 11787140.5 86 52.100 886139.5 6 53.100 425743.0 3 54.900 153465.5 1 59.000 24752.5 1 62.000 212871.5 2 63.000 336634.0 2 63.900 1148516.0 8 65.300 386139.0 3 66.100 356436.0 3 67.100 163366.5 1 68.100 128713.0 1 69.200 1663368.0 12 72.800 79208.0 1 78.000 153465.5 1 79.000 6995056.5 51 79.900 29703.0 1 80.900 108911.0 1 82.200 19802.0 1 89.900 435644.0 3 91.200 925743.5 7 92.000 1509902.5 11 93.100 1084159.5 8 95.100 26272303.5 191 97.200 54455.5 1 106.300 178218.0 1 107.200 747525.5 5 109.200 137628850.5 999 110.300 64356.5 1 119.900 2445547.0 18 123.000 14806945.5 107 125.100 183168.5 1 135.900 69307.0 1 137.100 11717833.5 85 153.000 1589110.5 12 183.400 450495.5 3 //