ACCESSION: MSBNK-RIKEN_NPDepo-NGA01037
RECORD_TITLE: Majdine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
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: 428.4894
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$SPLASH: splash10-004i-0000900000-142b6ff6f7761bf5a529
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  428.3 0.83 0
  428.4 2.55 2
  428.5 5.55 5
  428.6 10.13 10
  428.7 18.0 17
  428.8 31.87 31
  428.9 52.18 52
  429.0 74.55 74
  429.1 92.09 91
  429.2 100.0 99
  429.3 96.51 96
  429.4 81.18 81
  429.5 55.98 55
  429.6 28.05 28
  429.7 6.98 6
  429.8 0.0 0
//