MassBank Record: NGA01573



 Monticoline; 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: NGA01573
RECORD_TITLE: Monticoline; 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: 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-0000900000-0576a4ec34e2fe403122 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 407.3 0.55 0 407.4 1.85 1 407.5 4.4 4 407.6 8.55 8 407.7 15.28 15 407.8 26.2 26 407.9 42.25 42 408.0 62.06 61 408.1 81.65 81 408.2 95.82 95 408.3 100.0 99 408.4 91.33 91 408.5 70.04 69 408.6 41.62 41 408.7 15.89 15 408.8 1.35 1 //