ACCESSION: MSBNK-EPA-ENTACT_AGILENT001133
RECORD_TITLE: CP-612372; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CP-612372
CH$NAME: DTXSID1047281
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₀N₄O₄
CH$EXACT_MASS: 404.1484551568
CH$SMILES: CC(C)(O)C1C=CC(CNC(=O)C2=CC=CN=C2OC2=CC3=NON=C3C=C2)=CC=1
CH$IUPAC: InChI=1S/C22H20N4O4/c1-22(2,28)15-7-5-14(6-8-15)13-24-20(27)17-4-3-11-23-21(17)29-16-9-10-18-19(12-16)26-30-25-18/h3-12,28H,13H2,1-2H3,(H,24,27)
CH$LINK: CAS 353280-07-6
CH$LINK: INCHIKEY QYZRHDNGOVTVDB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9865929

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 403.1411787051
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0002900000-86af29dfdfa50b84f7f9
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  135.020001 1.108074 11
  138.019667 1.646349 16
  282.1248 10.570989 105
  385.130614 31.41766 313
  403.141179 99.999997 999
//