MassBank Record: MSBNK-EPA-ENTACT_AGILENT000246

C.I.Disperse Yellow 42; ESI-QTOF; MS2; CE: 10; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000246
RECORD_TITLE: C.I.Disperse Yellow 42; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: C.I.Disperse Yellow 42
CH$NAME: DTXSID8052148
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₅N₃O₄S
CH$EXACT_MASS: 369.0783267199
CH$SMILES: [O-][N+](=O)C1=CC(=CC=C1NC1C=CC=CC=1)S(=O)(=O)NC1C=CC=CC=1
CH$IUPAC: InChI=1S/C18H15N3O4S/c22-21(23)18-13-16(26(24,25)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H
CH$LINK: CAS 5124-25-4
CH$LINK: INCHIKEY BBFRYSKTTHYWQZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21201

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AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

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MS$FOCUSED_ION: PRECURSOR_M/Z 368.0710502682
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-014i-0009000000-655403df7dd053abd44d
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  368.07105 99.999999 999
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