ACCESSION: MSBNK-EPA-ENTACT_AGILENT001036
RECORD_TITLE: (+/-)-Apomorphinee; ESI-QTOF; MS2; CE: 20; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 268.133205246
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00kr-0190000000-a4f86d8cfb7065c159ac
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  44.049476 3.695933 36
  189.069877 1.202029 12
  190.077702 1.544424 15
  191.085527 33.721549 336
  201.069877 2.00449 20
  207.080441 1.028872 10
  219.080441 58.874037 588
  237.091006 100.000001 999
  268.133205 7.485477 74
//