MassBank Record: MSBNK-EPA-ENTACT_AGILENT001132
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001132
RECORD_TITLE: CP-612372; ESI-QTOF; MS2; CE: 20; [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 20
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: splash10-001r-0295300000-e5a57ab6d3f9efdaea23
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
41.998537 6.236096 62
90.022347 1.011719 10
94.029837 4.124904 41
119.025086 1.884005 18
122.024752 1.679856 16
133.02816 15.278774 152
134.035985 1.442886 14
135.020001 5.358626 53
138.019667 10.121771 101
198.043476 1.22516 12
237.041799 1.503237 15
240.041465 4.056661 40
241.04929 5.421774 54
255.113901 1.640218 16
264.114236 1.143887 11
282.1248 100.000005 999
327.088749 1.045295 10
342.1248 4.320694 43
355.132625 1.122546 11
358.119715 1.144462 11
363.122455 1.658114 16
367.120049 7.950605 79
368.127874 1.692247 16
369.099314 2.453219 24
376.13028 2.783735 27
385.130614 49.867493 498
386.138439 1.134939 11
403.141179 44.330938 442
//