ACCESSION: MSBNK-RIKEN_NPDepo-NGA00286
RECORD_TITLE: Sinomenine; 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: Formula(Parent): C19H23NO4
COMMENT: Bottle Name:Sinomenine
COMMENT: PRIME Parent Name:Sinomenine
COMMENT: PRIME in-house No.:V0298
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids

CH$NAME: Kukoline
CH$NAME: Cocculine
CH$NAME: Cucoline
CH$NAME: 4-Hydroxy-3,7-dimethoxy-17-methylmorphin-7-en-6-one
CH$NAME: Sinomenine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₉H₂₃NO₄
CH$EXACT_MASS: 329.3995
CH$SMILES: COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O
CH$IUPAC: InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
CH$LINK: CAS 115-53-7
CH$LINK: CHEMSPIDER 10179905
CH$LINK: INCHIKEY INYYVPJSBIVGPH-QHRIQVFBSA-N
CH$LINK: PUBCHEM CID:5459308

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$SPLASH: splash10-001i-0009000000-ee9aa6348e41f47dd28e
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  329.3 1.2 1
  329.4 2.83 2
  329.5 5.07 5
  329.6 8.41 8
  329.7 15.39 15
  329.8 29.36 29
  329.9 50.48 50
  330.0 73.81 73
  330.1 92.09 91
  330.2 100.0 99
  330.3 95.18 95
  330.4 77.61 77
  330.5 50.98 50
  330.6 23.67 23
  330.7 4.79 4
//