ACCESSION: MSBNK-EPA-ENTACT_AGILENT001314
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-0a4i-0190000000-cac1d185df152708a5d8
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  41.038577 1.367235 13
  43.017841 1.50145 14
  55.054227 15.525235 155
  55.06278 1.529007 15
  59.049141 3.24625 32
  80.049476 2.006224 20
  83.049141 1.975934 19
  92.049476 1.082293 10
  101.059706 1.321525 13
  104.049476 1.063456 10
  115.054227 1.044978 10
  130.065126 5.112282 51
  142.065126 1.472796 14
  144.080776 1.240939 12
  154.065126 1.073394 10
  167.072951 8.218126 82
  168.080776 4.506558 45
  180.080776 7.864649 78
  181.088601 1.200871 11
  182.096426 1.23606 12
  191.072951 1.351131 13
  192.080776 3.388284 33
  193.076025 1.957405 19
  194.08385 19.110668 190
  195.091675 1.308203 13
  205.076025 2.49155 24
  206.08385 16.137397 161
  207.091675 76.513571 764
  207.137956 1.357451 13
  208.0995 100.000003 999
  208.157015 1.990977 19
  209.107325 41.140669 410
  219.091675 2.250645 22
  220.0995 4.560633 45
  221.107325 84.041835 839
  221.16484 1.574639 15
  222.11515 6.441002 64
  231.091675 1.045407 10
  232.0995 1.94138 19
  233.107325 1.310662 13
  235.122975 8.045527 80
  236.1308 1.010778 10
  247.122975 6.92498 69
  248.1308 5.077816 50
  249.138625 3.599217 35
  263.154275 2.932272 29
  291.14919 2.133121 21
  294.136279 1.197199 11
  309.159754 20.788736 207
//