MassBank Record: NGA00628



 (S)-Luteanine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00628
RECORD_TITLE: (S)-Luteanine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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: splash10-0006-0009000000-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 //