MassBank Record: MSBNK-EPA-ENTACT_AGILENT001423
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001423
RECORD_TITLE: SSR504734; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: SSR504734
CH$NAME: DTXSID3047348
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H20ClF3N2O
CH$EXACT_MASS: 396.1216255851
CH$SMILES: O=C(NC(C1CCCCN1)C1C=CC=CC=1)C1=CC=CC(=C1Cl)C(F)(F)F
CH$IUPAC: InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)
CH$LINK: CAS
742693-38-5
CH$LINK: INCHIKEY
MEZRZVWPLXVLSO-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:9954540
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$FOCUSED_ION: PRECURSOR_M/Z 395.1143491334
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-00kb-0259000000-6e7439202dbeacf548a7
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
34.969401 5.258032 52
104.050573 2.60137 25
132.045487 3.076453 30
178.988086 19.503018 194
215.118987 55.806647 557
216.120544 1.004756 10
395.114349 99.999997 999
//