ACCESSION: MSBNK-EPA-ENTACT_AGILENT000338
RECORD_TITLE: Acid Yellow 11; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Acid Yellow 11
CH$NAME: DTXSID5047451
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₄N₄O₄S
CH$EXACT_MASS: 358.0735756954
CH$SMILES: CC1=NN(C2C=CC(=CC=2)S(O)(=O)=O)C(=O)C1/N=N/C1C=CC=CC=1
CH$IUPAC: InChI=1S/C16H14N4O4S/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24/h2-10,15H,1H3,(H,22,23,24)/b18-17+
CH$LINK: CAS 6359-82-6
CH$LINK: INCHIKEY OILFJMYLWASPJD-ISLYRVAYSA-N
CH$LINK: PUBCHEM CID:23675339

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$FOCUSED_ION: PRECURSOR_M/Z 357.0662992437
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4r-0189000000-2b5e08ef69d77b6ad19e
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  80.965188 5.679284 56
  185.015212 2.701675 26
  197.986652 14.554557 145
  208.006697 5.62131 56
  209.01387 1.271277 12
  223.990378 2.732155 27
  237.02136 73.3058 732
  238.025815 1.388956 13
  277.109485 11.710474 116
  357.066299 100.000005 999
//