ACCESSION: MSBNK-RIKEN_NPDepo-NGA01211
RECORD_TITLE: Papaveraldine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$NAME: Papaveraldine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₀H₂₁NO₅
CH$EXACT_MASS: 355.3941
CH$SMILES: COc1ccc(C(=O)C2=NCCc3cc(OC)c(OC)cc32)cc1OC
CH$IUPAC: InChI=1S/C20H21NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-6,9-11H,7-8H2,1-4H3
CH$LINK: CAS 522-57-6
CH$LINK: CHEMSPIDER 87524
CH$LINK: INCHIKEY BSYFCWAPBDZVAX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:1279125

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-0009000000-bd881d1df13cebcb31fc
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  189.6 1.58 1
  189.7 3.01 3
  189.8 5.08 5
  189.9 7.25 7
  190.0 8.77 8
  190.1 9.3 9
  190.2 9.01 9
  190.3 8.0 7
  190.4 6.16 6
  190.5 3.67 3
  355.3 1.23 1
  355.4 3.26 3
  355.5 6.1 6
  355.6 10.29 10
  355.7 18.44 18
  355.8 33.37 33
  355.9 54.42 54
  356.0 76.33 76
  356.1 92.77 92
  356.2 100.0 99
  356.3 96.03 95
  356.4 79.15 79
  356.5 51.39 51
  356.6 22.05 22
  356.7 2.38 2
//