MassBank Record: MSBNK-EPA-ENTACT_AGILENT000173

C.I. Disperse Yellow 64; ESI-QTOF; MS2; CE: 40; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000173
RECORD_TITLE: C.I. Disperse Yellow 64; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: C.I. Disperse Yellow 64
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₀BrNO₃
CH$EXACT_MASS: 366.9844060933
CH$SMILES: OC1C(Br)=C2C=CC=CC2=NC=1C1C(=O)C2C=CC=CC=2C1=O
CH$IUPAC: InChI=1S/C18H10BrNO3/c19-14-11-7-3-4-8-12(11)20-15(18(14)23)13-16(21)9-5-1-2-6-10(9)17(13)22/h1-8,13,23H
CH$LINK: CAS 10319-14-9
CH$LINK: INCHIKEY DVBLPJWQXDCAKU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:25152

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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 40

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MS$FOCUSED_ION: PRECURSOR_M/Z 365.9771296416
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-004i-9000000000-585674b7311d8dd1f7d2
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  78.918886 100.000004 999
  286.050967 2.406022 24
//