MassBank Record: KO000648



 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000648
RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 183 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4j-9700000000-57819c29c3eccdb05da8 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 38.100 29703.0 1 38.900 183168.5 5 40.100 64356.5 2 41.100 980199.0 26 42.100 707921.5 19 46.000 17945562.5 478 49.100 173267.5 5 50.200 326733.0 9 51.200 8430701.5 225 52.200 648515.5 17 53.000 485149.0 13 55.100 173267.5 5 58.800 24752.5 1 62.200 722773.0 19 63.000 564357.0 15 64.100 1148516.0 31 65.300 910892.0 24 65.900 391089.5 10 66.900 158416.0 4 69.300 2004952.5 53 74.100 14851.5 1 76.000 49505.0 1 78.100 158416.0 4 79.000 3222775.5 86 81.100 64356.5 2 90.100 346535.0 9 91.000 524753.0 14 92.100 1628714.5 43 93.200 391089.5 10 95.100 7910899.0 211 106.100 44554.5 1 106.900 74257.5 2 107.900 108911.0 3 109.100 37514889.0 999 110.000 24752.5 1 119.600 29703.0 1 119.800 272277.5 7 123.100 1148516.0 31 136.900 445545.0 12 152.800 29703.0 1 //