MassBank Record: NGA01040



 Majdine; 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: NGA01040
RECORD_TITLE: Majdine; 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: 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: splash10-0002-0098600000-d441698f1ba71ad386ca PK$NUM_PEAK: 92 PK$PEAK: m/z int. rel.int. 177.7 1.92 1 177.8 3.26 3 177.9 4.84 4 178.0 6.11 6 178.1 6.71 6 178.2 6.59 6 178.3 5.78 5 178.4 4.3 4 178.5 2.42 2 217.6 2.04 2 217.7 3.52 3 217.8 5.77 5 217.9 8.24 8 218.0 10.1 10 218.1 10.76 10 218.2 10.16 10 218.3 8.47 8 218.4 5.92 5 218.5 3.06 3 219.3 1.54 1 219.4 3.57 3 219.5 6.4 6 219.6 10.31 10 219.7 16.82 16 219.8 27.16 27 219.9 39.85 39 220.0 50.81 50 220.1 56.46 56 220.2 55.74 55 220.3 48.84 48 220.4 36.36 36 220.5 20.87 20 220.6 7.33 7 220.7 0.41 0 260.6 2.26 2 260.7 3.7 3 260.8 6.14 6 260.9 9.42 9 261.0 12.63 12 261.1 14.66 14 261.2 14.99 14 261.3 13.61 13 261.4 10.66 10 261.5 6.64 6 261.6 2.71 2 272.7 2.31 2 272.8 4.03 4 272.9 6.17 6 273.0 8.06 8 273.1 9.03 9 273.2 8.85 8 273.3 7.65 7 273.4 5.63 5 273.5 3.17 3 298.7 1.59 1 298.8 2.85 2 298.9 4.39 4 299.0 5.78 5 299.1 6.7 6 299.2 6.98 6 299.3 6.43 6 299.4 4.91 4 299.5 2.78 2 396.3 1.74 1 396.4 4.03 4 396.5 7.19 7 396.6 11.48 11 396.7 19.08 19 396.8 33.14 33 396.9 53.98 53 397.0 76.61 76 397.1 93.61 93 397.2 100.0 99 397.3 94.11 94 397.4 76.07 75 397.5 49.14 49 397.6 21.67 21 397.7 3.08 3 428.4 2.02 2 428.5 3.95 3 428.6 6.68 6 428.7 11.4 11 428.8 20.15 20 428.9 33.54 33 429.0 48.76 48 429.1 61.01 60 429.2 66.8 66 429.3 64.77 64 429.4 54.55 54 429.5 37.46 37 429.6 18.46 18 429.7 4.25 4 //