ACCESSION: MSBNK-EPA-ENTACT_AGILENT000821
RECORD_TITLE: PHA-00568487; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: PHA-00568487
CH$NAME: DTXSID1047285
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₀N₂O₃
CH$EXACT_MASS: 288.1473925197
CH$SMILES: O=C(NC1CN2CCC1CC2)C1C=C2OCCOC2=CC=1
CH$IUPAC: InChI=1S/C16H20N2O3/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14/h1-2,9,11,13H,3-8,10H2,(H,17,19)
CH$LINK: CAS 527680-56-4
CH$LINK: INCHIKEY LUVXHMJTVXZFPD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9932000

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$FOCUSED_ION: PRECURSOR_M/Z 289.1546689714
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0090000000-5c365941130c9402e593
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  110.096426 1.117405 11
  163.038971 1.257751 12
  289.154669 99.999997 999
//