ACCESSION: MSBNK-EPA-ENTACT_AGILENT001033
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-0006-0910000000-d4aae27ca74386b6534d
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  44.049476 4.481068 44
  165.069877 3.405846 34
  189.069877 21.077028 210
  190.077702 36.628646 365
  190.135217 1.038452 10
  191.085527 100 999
  191.130466 4.605157 46
  201.069877 8.967647 89
  218.072616 2.526498 25
  219.080441 8.174064 81
//