ACCESSION: MSBNK-EPA-ENTACT_AGILENT001315
RECORD_TITLE: UK-156819; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: UK-156819
CH$NAME: DTXSID2047309
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₀N₂O₂
CH$EXACT_MASS: 308.1524778974
CH$SMILES: CC1=C(C2C=CC=CC=2N1CCCCC(O)=O)C1=CN=CC=C1
CH$IUPAC: InChI=1S/C19H20N2O2/c1-14-19(15-7-6-11-20-13-15)16-8-2-3-9-17(16)21(14)12-5-4-10-18(22)23/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,22,23)
CH$LINK: CAS 162706-14-1
CH$LINK: INCHIKEY MYDPDVXVDQMNLD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9926621

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 307.1452014457
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0090000000-552d53977f2ebb265a3f
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  130.066223 2.552821 25
  205.077122 12.032252 120
  207.092772 100.000003 999
  207.150287 2.355196 23
  208.100597 1.852436 18
//