MassBank Record: NGA01039



 Majdine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01039
RECORD_TITLE: Majdine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from tryptophan, Secologanin typtamine alkaloids, Indole alkaloids

CH$NAME: Majdine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C23H28N2O6 CH$EXACT_MASS: 428.48941 CH$SMILES: COC(=O)C1=CO[C@@H](C)C2CN3CC[C@]4(C(O)=Nc5c4ccc(OC)c5OC)C3CC12 CH$IUPAC: InChI=1S/C23H28N2O6/c1-12-14-10-25-8-7-23(18(25)9-13(14)15(11-31-12)21(26)30-4)16-5-6-17(28-2)20(29-3)19(16)24-22(23)27/h5-6,11-14,18H,7-10H2,1-4H3,(H,24,27)/t12-,13?,14?,18?,23+/m0/s1 CH$LINK: CAS 20497-42-1 CH$LINK: INCHIKEY TTZWEOINXHJHCY-XHNSDYIJSA-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-0001900000-665743f099b9beea0225 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 396.6 2.12 2 396.7 3.57 3 396.8 6.23 6 396.9 10.13 10 397.0 14.24 14 397.1 17.16 17 397.2 18.09 18 397.3 16.87 16 397.4 13.54 13 397.5 8.66 8 397.6 3.74 3 428.3 1.2 1 428.4 3.23 3 428.5 6.32 6 428.6 10.79 10 428.7 18.61 18 428.8 32.58 32 428.9 52.89 52 429.0 75.1 75 429.1 92.43 92 429.2 100.0 99 429.3 95.92 95 429.4 79.95 79 429.5 54.47 54 429.6 26.73 26 429.7 6.12 6 429.8 0.0 0 //