MassBank Record: MSBNK-EPA-ENTACT_AGILENT000509

SSR180711; ESI-QTOF; MS2; CE: 20; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000509
RECORD_TITLE: SSR180711; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: SSR180711
CH$NAME: DTXSID2047359
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₇BrN₂O₂
CH$EXACT_MASS: 324.0473407017
CH$SMILES: O=C(OC1C=CC(Br)=CC=1)N1CCN2CCC1CC2
CH$IUPAC: InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
CH$LINK: CAS 298198-52-4
CH$LINK: INCHIKEY RXLOZRCLQMJJLC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9797360

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 325.0546171534
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-004i-2009000000-7224a8ba01c12bf0edbd
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  56.049476 1.661649 16
  82.065126 3.161802 31
  84.080776 18.605868 185
  297.023317 3.527244 35
  325.054617 99.999997 999
//