ACCESSION: MSBNK-EPA-ENTACT_AGILENT001317
RECORD_TITLE: UK-156819; ESI-QTOF; MS2; CE: 20; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 309.1597543491
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0009000000-21294e2f705c1791f453
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  55.054227 1.04328 10
  208.0995 2.573223 25
  209.107325 4.154811 41
  221.107325 1.475572 14
  291.14919 1.060253 10
  309.159754 100.000005 999
//