ACCESSION: MSBNK-EPA-ENTACT_AGILENT002088
RECORD_TITLE: CP-457920; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CP-457920
CH$NAME: DTXSID4047254
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₇N₃O₃
CH$EXACT_MASS: 323.1269914314
CH$SMILES: CCOC1C=CC2N=CC(C(=O)NCC3C=CC=CC=3)C(=O)C=2N=1
CH$IUPAC: InChI=1S/C18H17N3O3/c1-2-24-15-9-8-14-16(21-15)17(22)13(11-19-14)18(23)20-10-12-6-4-3-5-7-12/h3-9,11,13H,2,10H2,1H3,(H,20,23)
CH$LINK: CAS 220860-50-4
CH$LINK: INCHIKEY PCVPVCFOFVFDQX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9831581

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 322.1197149797
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0293000000-6e04503477d8d048e7e5
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  160.027826 17.311141 172
  161.035651 11.150516 111
  188.022741 5.527346 55
  189.066951 1.316684 13
  293.08059 13.330338 133
  294.088415 99.999999 999
  322.119715 45.985098 459
//