MassBank Record: NGA00625



 (S)-Luteanine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00625
RECORD_TITLE: (S)-Luteanine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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: splash10-01t9-0090000000-f5f8c43a70bb0234a7f8 PK$NUM_PEAK: 143 PK$PEAK: m/z int. rel.int. 190.7 2.94 2 190.8 4.82 4 190.9 7.02 7 191.0 9.01 9 191.1 10.23 10 191.2 10.16 10 191.3 8.62 8 191.4 6.02 6 191.5 3.21 3 218.6 2.5 2 218.7 3.74 3 218.8 5.71 5 218.9 7.98 7 219.0 9.9 9 219.1 11.02 11 219.2 11.05 11 219.3 9.64 9 219.4 6.81 6 219.5 3.45 3 235.5 6.03 6 235.6 8.17 8 235.7 13.18 13 235.8 21.01 20 235.9 29.84 29 236.0 36.96 36 236.1 39.98 39 236.2 37.78 37 236.3 30.72 30 236.4 20.65 20 236.5 10.5 10 236.6 3.23 3 246.5 2.42 2 246.6 4.22 4 246.7 7.37 7 246.8 11.69 11 246.9 16.08 16 247.0 19.07 19 247.1 19.97 19 247.2 19.14 19 247.3 17.34 17 247.6 14.51 14 247.7 20.44 20 247.8 31.8 31 247.9 45.91 45 248.0 57.96 57 248.1 63.77 63 248.2 61.53 61 248.3 51.52 51 248.4 35.73 35 248.5 18.58 18 248.6 5.76 5 250.5 3.13 3 250.6 4.28 4 250.7 7.32 7 250.8 12.41 12 250.9 18.25 18 251.0 22.87 22 251.1 25.14 25 251.2 24.96 24 251.3 22.18 22 251.4 16.61 16 251.5 9.4 9 251.6 3.19 3 263.3 5.67 5 263.4 7.34 7 263.5 10.07 10 263.6 15.63 15 263.7 26.44 26 263.8 42.64 42 263.9 60.33 60 264.0 73.54 73 264.1 78.05 77 264.2 73.01 72 264.3 59.94 59 264.4 41.88 41 264.5 23.83 23 264.8 15.74 15 264.9 25.05 25 265.0 32.61 32 265.1 36.33 36 265.2 36.11 36 265.3 31.89 31 265.4 23.63 23 265.5 13.14 13 265.6 4.18 4 278.2 3.19 3 278.3 4.87 4 278.4 7.22 7 278.5 10.18 10 278.6 15.2 15 278.7 25.86 25 278.8 44.64 44 278.9 68.5 68 279.0 89.39 89 279.1 100.0 99 279.2 97.86 97 279.3 84.03 83 279.4 61.38 61 279.5 35.74 35 279.6 15.69 15 279.8 11.71 11 279.9 21.32 21 280.0 29.98 29 280.1 34.52 34 280.2 34.84 34 280.3 31.44 31 280.4 24.63 24 280.5 16.09 16 280.7 8.45 8 280.8 13.17 13 280.9 20.5 20 281.0 26.4 26 281.1 28.76 28 281.2 27.76 27 281.3 24.1 24 281.4 18.08 18 281.5 10.55 10 281.6 3.81 3 295.3 1.71 1 295.4 3.02 3 295.5 4.55 4 295.6 6.81 6 295.7 10.87 10 295.8 17.3 17 295.9 25.27 25 296.0 32.75 32 296.1 37.45 37 296.2 37.42 37 296.3 31.73 31 296.4 21.5 21 296.5 10.28 10 296.6 2.15 2 310.6 2.21 2 310.7 3.51 3 310.8 6.01 6 310.9 9.51 9 311.0 12.85 12 311.1 14.82 14 311.2 14.96 14 311.3 13.13 13 311.4 9.42 9 311.5 4.82 4 311.6 1.13 1 //