ACCESSION: MSBNK-EPA-ENTACT_AGILENT002090
RECORD_TITLE: CP-457920; ESI-QTOF; MS2; CE: 40; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 324.1342678831
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000f-5900000000-114abb264e1a57c9c2bf
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  65.038577 4.056911 40
  78.033826 1.039486 10
  91.054227 92.190343 920
  91.086589 2.092 20
  91.107719 1.274511 12
  105.044725 3.003476 30
  115.029075 1.203927 12
  133.039639 4.402507 43
  143.023989 37.538041 375
  145.039639 5.987867 59
  161.034554 12.76865 127
  171.018904 3.35335 33
  175.050204 1.456601 14
  189.029468 99.999997 999
  189.07843 2.318025 23
  189.102239 1.279367 12
  217.060769 11.17233 111
//