ACCESSION: MSBNK-EPA-ENTACT_AGILENT002240
RECORD_TITLE: C.I. Disperse Orange 25; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: C.I. Disperse Orange 25
CH$NAME: DTXSID5051999
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₇N₅O₂
CH$EXACT_MASS: 323.1382248239
CH$SMILES: CCN(CCC#N)C1C=CC(=CC=1)/N=N/C1C=CC(=CC=1)[N+]([O-])=O
CH$IUPAC: InChI=1S/C17H17N5O2/c1-2-21(13-3-12-18)16-8-4-14(5-9-16)19-20-15-6-10-17(11-7-15)22(23)24/h4-11H,2-3,13H2,1H3/b20-19+
CH$LINK: CAS 31482-56-1
CH$LINK: INCHIKEY ZSPPPAFDNHYXNW-FMQUCBEESA-N
CH$LINK: PUBCHEM CID:92278

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 324.1455012756
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0029000000-287368ad81636b69c7df
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  122.023655 1.583526 15
  283.118952 30.786753 307
  324.145501 99.999995 999
//