MassBank Record: NGA01576



 Monticoline; 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: NGA01576
RECORD_TITLE: Monticoline; 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: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid

CH$NAME: Monticoline CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C22H33NO6 CH$EXACT_MASS: 407.51141000000007 CH$SMILES: CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(CC32)C14 CH$IUPAC: InChI=1S/C22H33NO6/c1-4-23-9-19-13-8-21(26)18(23)22(13,14(24)6-15(19)29-19)11-5-10-12(27-2)7-20(21,25)16(11)17(10)28-3/h10-18,24-26H,4-9H2,1-3H3/t10-,11?,12+,13?,14+,15+,16?,17+,18?,19-,20-,21-,22-/m1/s1 CH$LINK: CAS 81037-22-1 CH$LINK: INCHIKEY QMPMWGJFHADPSW-LRJOOASDSA-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-0000900000-14a8f406a0a1bd10e9a6 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 407.4 1.52 1 407.5 3.97 3 407.6 8.04 8 407.7 14.44 14 407.8 24.96 24 407.9 41.15 41 408.0 61.75 61 408.1 82.14 82 408.2 96.5 96 408.3 100.0 99 408.4 89.65 89 408.5 66.33 66 408.6 37.09 37 408.7 12.54 12 408.8 0.77 0 //