ACCESSION: MSBNK-EPA-ENTACT_AGILENT000332
RECORD_TITLE: CJ-013610; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CJ-013610
CH$NAME: DTXSID2047272
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₃N₃O₂S
CH$EXACT_MASS: 393.1510977305
CH$SMILES: CC1=NC=CN1C1C=CC(=CC=1)SC1C=C(C=CC=1)C1(CCOCC1)C(N)=O
CH$IUPAC: InChI=1S/C22H23N3O2S/c1-16-24-11-12-25(16)18-5-7-19(8-6-18)28-20-4-2-3-17(15-20)22(21(23)26)9-13-27-14-10-22/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,23,26)
CH$LINK: CAS 249296-43-3
CH$LINK: INCHIKEY VPTONMHDLLMOOV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9935274

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 394.1583741822
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0009000000-ac45c133eb5c4f746b7a
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
394.1583741822 100 999
//