ACCESSION: MSBNK-EPA-ENTACT_AGILENT000174
RECORD_TITLE: C.I. Disperse Yellow 64; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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

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 20

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

PK$SPLASH: splash10-00or-9007000000-f03a5692d9820f021702
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  78.918886 99.999997 999
  87.008768 1.007556 10
  286.050967 5.560245 55
  287.058792 3.711002 37
  321.9873 1.147444 11
  365.97713 80.918615 808
//