ACCESSION: MSBNK-EPA-ENTACT_AGILENT000387
RECORD_TITLE: C.I. Acid Red 88; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-004i-0009000000-9227ce33300aa52e9fcf
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
221.015212 3.343217 33
377.060151 99.999998 999
//