ACCESSION: MSBNK-RIKEN_NPDepo-CB000118
RECORD_TITLE: Sinomenine; LC-ESI-QQQ; MS; [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$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0059-0019000000-7eea0859fc100167cdd4
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  101.2000 160101.3750 26
  101.3000 168922.0469 28
  180.6000 151140.7813 25
  180.7000 140220.0000 23
  180.8000 171162.2031 28
  180.9000 201544.3750 34
  181.0000 171652.2500 28
  181.1000 175292.5313 29
  181.2000 164791.7813 27
  194.8000 138609.9063 23
  206.7000 129579.2344 21
  206.8000 173752.3750 29
  207.0000 126779.0313 21
  207.1000 127969.1328 21
  208.6000 128319.1250 21
  209.3000 205674.6875 34
  212.6000 172492.3281 29
  212.7000 159261.3594 26
  212.8000 139869.9688 23
  213.0000 152610.8750 25
  213.2000 134829.6094 22
  222.5000 172842.3125 29
  222.6000 179002.7656 30
  222.7000 213235.2031 36
  222.8000 240677.1406 40
  222.9000 197834.1250 33
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  223.4000 164231.6875 27
  238.4000 281070.0625 47
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  330.6000 1869763.2500 324
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  332.1000 413029.4688 70
  332.2000 345614.5938 59
  332.3000 376276.8125 64
  332.4000 336654.0000 57
  332.5000 133429.5156 22
//