ACCESSION: MSBNK-EPA-ENTACT_AGILENT001032
RECORD_TITLE: (+/-)-Apomorphinee; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: (+/-)-Apomorphinee
CH$NAME: DTXSID0048185
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₇NO₂
CH$EXACT_MASS: 267.1259287943
CH$SMILES: CN1CCC2=CC=CC3C4=C(CC1C2=3)C=CC(O)=C4O
CH$IUPAC: InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3
CH$LINK: CAS 61503-74-0
CH$LINK: INCHIKEY VMWNQDUVQKEIOC-UHFFFAOYSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 266.1186523426
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0090000000-0884a604eb30f60fd6ed
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  141.070974 1.166304 11
  167.086624 3.69084 36
  177.070974 1.893218 18
  179.086624 4.425795 44
  194.073714 1.755296 17
  195.081539 1.170688 11
  205.065888 1.761035 17
  206.073714 1.025958 10
  208.052978 2.328688 23
  222.068628 69.699822 696
  222.128823 1.545808 15
  223.076453 100.000001 999
  224.084278 3.727094 37
  234.056052 1.002223 10
  235.076453 2.709517 27
  236.071702 1.269704 12
  247.063877 1.715009 17
  248.071702 8.054645 80
  249.079527 1.52496 15
  250.087352 14.192008 141
  266.118652 5.451093 54
//