MassBank Record: NGA00627



 (S)-Luteanine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00627
RECORD_TITLE: (S)-Luteanine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
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$EXACT_MASS: 341.41061 CH$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$LINK: PUBCHEM CID:9737 44304 CH$LINK: INCHIKEY QELDJEKNFOQJOY-ZDUSSCGKSA-N
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 //