ACCESSION: MSBNK-EPA-ENTACT_AGILENT002238
RECORD_TITLE: C.I. Disperse Orange 25; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-001i-0191000000-de80e69372533c4daeec
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  92.025666 1.339148 13
  122.023655 8.078272 80
  133.088601 2.732427 27
  134.096426 3.698027 36
  237.126049 1.705107 17
  255.087652 5.103287 50
  283.118952 99.999996 999
  284.126777 4.441911 44
  324.145501 14.691888 146
//