ACCESSION: MSBNK-EPA-ENTACT_AGILENT001646
RECORD_TITLE: Ricinine; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Ricinine
CH$NAME: DTXSID50200412
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈N₂O₂
CH$EXACT_MASS: 164.0585775146
CH$SMILES: COC1C=CN(C)C(=O)C=1C#N
CH$IUPAC: InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
CH$LINK: CAS 524-40-3
CH$LINK: INCHIKEY PETSAYFQSGAEQY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10666

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 165.0658539663
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0900000000-7acfada9458c650c32c3
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  82.02874 1.079565 10
  84.04439 1.584097 15
  138.054955 4.933221 49
  165.065854 99.999999 999
//