ACCESSION: MSBNK-EPA-ENTACT_AGILENT001116
RECORD_TITLE: C.I. Basic Red 9; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: C.I. Basic Red 9
CH$NAME: DTXSID1021247
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₇N₃
CH$EXACT_MASS: 287.1422475645
CH$SMILES: NC1C=CC(=CC=1)C(C1C=CC(N)=CC=1)=C1C=CC(=N)C=C1
CH$IUPAC: InChI=1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2
CH$LINK: CAS 479-73-2
CH$LINK: INCHIKEY AFAIELJLZYUNPW-UHFFFAOYSA-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$FOCUSED_ION: PRECURSOR_M/Z 286.1349711128
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0090000000-fb819c41747b625e91f1
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
286.134971 100.000001 999
//