ACCESSION: MSBNK-RIKEN_NPDepo-NGA01039
RECORD_TITLE: Majdine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-004i-0001900000-665743f099b9beea0225
PK$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
//