ACCESSION: MSBNK-RIKEN_NPDepo-NGA00627
RECORD_TITLE: (S)-Luteanine; 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): 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$SPLASH: splash10-0006-0039000000-03841e622e5354c0db45
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  278.4 2.0 1
  278.5 3.77 3
  278.6 6.7 6
  278.7 11.99 11
  278.8 20.76 20
  278.9 32.04 32
  279.0 42.26 42
  279.1 47.58 47
  279.2 46.21 46
  279.3 38.5 38
  279.4 26.43 26
  279.5 13.67 13
  279.6 4.48 4
  295.7 2.6 2
  295.8 3.98 3
  295.9 5.42 5
  296.0 6.55 6
  296.1 7.17 7
  296.2 7.13 7
  296.3 6.26 6
  296.4 4.55 4
  296.5 2.44 2
  310.4 2.27 2
  310.5 3.37 3
  310.6 5.25 5
  310.7 9.42 9
  310.8 16.95 16
  310.9 26.76 26
  311.0 35.77 35
  311.1 41.06 41
  311.2 41.09 41
  311.3 35.42 35
  311.4 24.95 24
  311.5 12.81 12
  311.6 3.36 3
  341.3 1.31 1
  341.4 3.41 3
  341.5 6.35 6
  341.6 10.04 10
  341.7 16.55 16
  341.8 29.63 29
  341.9 50.41 50
  342.0 74.09 74
  342.1 92.56 92
  342.2 100.0 99
  342.3 94.59 94
  342.4 76.82 76
  342.5 50.12 50
  342.6 22.64 22
  342.7 3.66 3
//