MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009563

2,4-DINITROPHENOL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009563
RECORD_TITLE: 2,4-DINITROPHENOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

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

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AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

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PK$SPLASH: splash10-001i-0900000000-5413dbaa2e83c8f4b557
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  137 3.87 39
  138 0.76 8
  154 7.19 72
  155 0.56 6
  167 39.2 392
  168 16.94 169
  183 99.99 999
  184 30.49 305
//