MassBank MassBank Search Contents Download

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)

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
CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020523

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
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze