ACCESSION: MSBNK-EPA-ENTACT_AGILENT000040
RECORD_TITLE: C.I. Pigment Red 22; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: C.I. Pigment Red 22
CH$NAME: DTXSID1052329
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₁₈N₄O₄
CH$EXACT_MASS: 426.132805093
CH$SMILES: CC1=CC=C(C=C1/N=N/C1=C(O)C(=CC2=CC=CC=C21)C(=O)NC1C=CC=CC=1)[N+]([O-])=O
CH$IUPAC: InChI=1S/C24H18N4O4/c1-15-11-12-18(28(31)32)14-21(15)26-27-22-19-10-6-5-7-16(19)13-20(23(22)29)24(30)25-17-8-3-2-4-9-17/h2-14,29H,1H3,(H,25,30)/b27-26+
CH$LINK: CAS 6448-95-9
CH$LINK: INCHIKEY XYZMEPHFXJHGIX-CYYJNZCTSA-N
CH$LINK: PUBCHEM CID:57273426

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$FOCUSED_ION: PRECURSOR_M/Z 425.1255286413
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-0000900000-9dbadd8fa1af0efc5c4a
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  288.07785 4.210558 42
  397.119381 1.838017 18
  407.114964 8.348843 83
  425.125529 100 999
//