MassBank Record: MSBNK-EPA-ENTACT_AGILENT001034

(+/-)-Apomorphinee; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT001034
RECORD_TITLE: (+/-)-Apomorphinee; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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 20

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

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PK$SPLASH: splash10-014i-0090000000-f2d40d1261a1c53e4c94
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  222.068628 2.698463 26
  223.076453 22.725249 227
  250.087352 1.297195 12
  266.118652 99.999997 999
//