ACCESSION: MSBNK-RIKEN_NPDepo-NGA00628
RECORD_TITLE: (S)-Luteanine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C20H23NO4
COMMENT: Bottle Name:Isocorydine hydrochloride
COMMENT: PRIME Parent Name:Isocorydine
COMMENT: PRIME in-house No.:?V0334
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids (?V0334: Luteanine)

CH$NAME: Artabotrine
CH$NAME: Artabotrin
CH$NAME: Luteanine
CH$NAME: Luteanin
CH$NAME: Uzokoridin
CH$NAME: (S)-Luteanine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₀H₂₃NO₄
CH$EXACT_MASS: 341.4106
CH$SMILES: COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3
CH$IUPAC: InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
CH$LINK: CAS 475-67-2 13552-72-2 36284-37-4
CH$LINK: CHEMSPIDER 9737 44304
CH$LINK: INCHIKEY QELDJEKNFOQJOY-ZDUSSCGKSA-N
CH$LINK: COMPTOX DTXSID50929035
CH$LINK: PUBCHEM CID:10143

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$SPLASH: splash10-0006-0009000000-f152aa4b4c39548c8bd2
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  278.7 2.17 2
  278.8 3.64 3
  278.9 5.38 5
  279.0 6.71 6
  279.1 7.17 7
  279.2 6.88 6
  279.3 6.07 6
  279.4 4.73 4
  279.5 2.94 2
  310.7 2.83 2
  310.8 4.73 4
  310.9 7.33 7
  311.0 9.9 9
  311.1 11.54 11
  311.2 11.74 11
  311.3 10.45 10
  311.4 7.9 7
  311.5 4.65 4
  311.6 1.72 1
  341.3 1.28 1
  341.4 3.28 3
  341.5 5.91 5
  341.6 9.34 9
  341.7 16.1 16
  341.8 29.95 29
  341.9 51.44 51
  342.0 75.09 75
  342.1 92.89 92
  342.2 100.0 99
  342.3 95.45 95
  342.4 79.32 79
  342.5 53.66 53
  342.6 25.7 25
  342.7 5.25 5
  342.8 0.0 0
//