MassBank Record: MSBNK-EPA-ENTACT_AGILENT001114

C.I. Basic Red 9; ESI-QTOF; MS2; CE: 20; [M+H]+

---

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001114
RECORD_TITLE: C.I. Basic Red 9; ESI-QTOF; MS2; CE: 20; [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 20

---

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$SPLASH: splash10-000i-0090000000-9d4a6d9e2f45c9c4004c
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  195.091675 8.155821 81
  288.149524 100.000002 999
//