MassBank Record: NGA01031



 Glaucine; 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: NGA01031
RECORD_TITLE: Glaucine; 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: SubCategory_DNP: Isoquinoline alkaloids, Aporphine alkaloids

CH$NAME: Glaucine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C21H25NO4 CH$EXACT_MASS: 355.4377 CH$SMILES: COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3 CH$IUPAC: InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3 CH$LINK: CAS 5630-11-5 CH$LINK: PUBCHEM CID:9739 CH$LINK: INCHIKEY RUZIUYOSRDWYQF-UHFFFAOYSA-N
AC$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$SPLASH: splash10-004i-0039000000-c28bf7f7957302b234eb PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 293.3 1.26 1 293.4 2.84 2 293.5 5.22 5 293.6 9.21 9 293.7 16.85 16 293.8 29.5 29 293.9 45.38 45 294.0 59.99 59 294.1 69.29 69 294.2 71.5 71 294.3 65.68 65 294.4 51.24 51 294.5 30.81 30 294.6 11.57 11 294.7 0.49 0 309.4 1.52 1 309.5 3.02 3 309.6 5.57 5 309.7 10.04 10 309.8 16.87 16 309.9 25.22 25 310.0 33.15 33 310.1 38.65 38 310.2 40.01 39 310.3 35.89 35 310.4 26.33 26 310.5 14.13 14 310.6 4.01 4 324.3 1.21 1 324.4 3.38 3 324.5 6.39 6 324.6 10.27 10 324.7 17.34 17 324.8 31.37 31 324.9 52.89 52 325.0 76.34 76 325.1 93.65 93 325.2 100.0 99 325.3 94.09 93 325.4 75.79 75 325.5 48.17 48 325.6 20.19 20 325.7 2.36 2 355.4 1.58 1 355.5 3.44 3 355.6 6.03 6 355.7 10.21 10 355.8 18.0 17 355.9 30.76 30 356.0 46.49 46 356.1 60.11 60 356.2 67.23 67 356.3 66.33 66 356.4 57.31 57 356.5 40.9 40 356.6 21.2 21 356.7 5.35 5 356.8 0.0 0 //