MassBank Record: MSBNK-EPA-ENTACT_AGILENT000510

SSR180711; ESI-QTOF; MS2; CE: 10; [M+H]+

---

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000510
RECORD_TITLE: SSR180711; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

---

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

---

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

---

PK$SPLASH: splash10-004i-0009000000-ad1b0b00b5758564c8ee
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  325.054617 99.999996 999
//