MassBank Record: NGA01032



 Glaucine; 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: NGA01032
RECORD_TITLE: Glaucine; 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: 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$SPLASH: splash10-0a4i-0009000000-60987c5ae6a60cd2242d PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 293.7 2.44 2 293.8 4.12 4 293.9 6.55 6 294.0 9.1 9 294.1 10.84 10 294.2 11.2 11 294.3 10.06 10 294.4 7.61 7 294.5 4.46 4 294.6 1.64 1 309.7 1.7 1 309.8 2.9 2 309.9 4.38 4 310.0 5.72 5 310.1 6.57 6 310.2 6.69 6 310.3 5.95 5 310.4 4.36 4 310.5 2.35 2 324.5 2.14 2 324.6 3.65 3 324.7 6.31 6 324.8 11.23 11 324.9 18.47 18 325.0 26.25 26 325.1 32.05 32 325.2 34.26 34 325.3 32.26 32 325.4 25.9 25 325.5 16.3 16 325.6 6.67 6 325.7 0.48 0 355.3 0.44 0 355.4 2.0 1 355.5 4.74 4 355.6 8.58 8 355.7 14.89 14 355.8 26.81 26 355.9 46.03 45 356.0 69.24 69 356.1 89.25 89 356.2 100.0 99 356.3 98.71 98 356.4 84.3 84 356.5 58.43 58 356.6 28.72 28 356.7 6.21 6 356.8 0.0 0 //