ACCESSION: MSBNK-EPA-ENTACT_AGILENT000386
RECORD_TITLE: C.I. Acid Red 88; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: C.I. Acid Red 88
CH$NAME: DTXSID1041714
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₄N₂O₄S
CH$EXACT_MASS: 378.0674276806
CH$SMILES: OC1=CC=C2C=CC=CC2=C1/N=N/C1C=CC(=C2C=CC=CC=12)S(O)(=O)=O
CH$IUPAC: InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+
CH$LINK: CAS 18268-54-7
CH$LINK: INCHIKEY JSAKRLDIZOGQTN-QURGRASLSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 377.0601512289
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00b9-0169000000-3a7d05f261ef6c59b35c
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  79.957363 1.101898 11
  143.050238 15.446507 154
  206.003623 3.664706 36
  220.007387 1.308255 13
  221.015212 58.995629 589
  221.072037 1.933974 19
  269.097189 1.10773 11
  297.103337 2.969726 29
  377.060151 100.000002 999
//