ACCESSION: MSBNK-EPA-ENTACT_AGILENT001115
RECORD_TITLE: C.I. Basic Red 9; ESI-QTOF; MS2; CE: 40; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 288.1495240162
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-0920000000-08878ca3dd6c450b7fa8
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  141.069877 1.477683 14
  143.072951 1.29599 12
  151.054227 5.245976 52
  154.065126 1.171414 11
  167.072951 4.420479 44
  168.080776 13.049045 130
  178.065126 8.340955 83
  180.080776 1.297749 12
  194.08385 2.639121 26
  195.091675 100.000004 999
  230.096426 1.937223 19
  245.107325 2.907063 29
  254.096426 4.238095 42
  255.104251 1.257864 12
  256.112076 1.483572 14
  269.107325 2.485049 24
  270.11515 1.060562 10
  271.122975 9.689125 96
  272.118224 3.636093 36
  273.126049 4.140471 41
  286.133874 2.767312 27
  288.149524 8.835869 88
//