MassBank Record: MSBNK-EPA-ENTACT_AGILENT001972
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001972
RECORD_TITLE: PD-0333941; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: PD-0333941
CH$NAME: DTXSID2047307
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H22N2O4
CH$EXACT_MASS: 390.1579572058
CH$SMILES: CC1OC(=NC=1CCOC1=CC=CC2=C1C=CN2CCC(O)=O)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C23H22N2O4/c1-16-19(24-23(29-16)17-6-3-2-4-7-17)12-15-28-21-9-5-8-20-18(21)10-13-25(20)14-11-22(26)27/h2-10,13H,11-12,14-15H2,1H3,(H,26,27)
CH$LINK: CAS
501027-49-2
CH$LINK: INCHIKEY
OMSPUVWUIHNYCS-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:10134976
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 20
MS$FOCUSED_ION: PRECURSOR_M/Z 391.1652336575
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-000l-1903000000-f61d9d912344718594cf
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
43.017841 15.051808 150
83.049141 3.117494 31
104.049476 5.823581 58
105.033491 1.219314 12
144.080776 2.790913 27
146.06004 1.285097 12
174.09134 1.841755 18
186.09134 100.000003 999
186.140302 5.029561 50
186.161431 2.670014 26
206.08117 2.472084 24
218.08117 5.276305 52
270.11247 2.173106 21
391.165234 43.443736 434
//