ACCESSION: MSBNK-RIKEN_NPDepo-CB000100
RECORD_TITLE: Magnoflorine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids

CH$NAME: Magnoflorine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₀H₂₄NO₄⁺
CH$EXACT_MASS: 342.4186
CH$SMILES: COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1C(C2)[N+](C)(C)CC3
CH$IUPAC: InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1
CH$LINK: CAS 2141-09-5
CH$LINK: CHEMSPIDER 3859 66066
CH$LINK: INCHIKEY YLRXAIKMLINXQY-UHFFFAOYSA-O
CH$LINK: PUBCHEM CID:3999

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M]+

PK$SPLASH: splash10-0006-0049000000-2f6b2f112f6bb4aa36bc
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
  134.8000 103098.2656 24
  236.6000 128872.8516 30
  236.7000 136987.0469 32
  236.8000 139373.5781 32
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  355.9000 110735.1797 25
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  374.2000 101348.1484 23
//