MassBank Record: NGA00804



 Napelline; 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: NGA00804
RECORD_TITLE: Napelline; 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: Formula(Parent): C22H33NO3
COMMENT: Bottle Name:Napelline
COMMENT: PRIME Parent Name:Napelline
COMMENT: PRIME in-house No.:V0349
COMMENT: SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid

CH$NAME: Luciculine CH$NAME: (5S,6S,10S,1R,2R,3R,9R,13R)-15-ethyl-13-methyl-4-methylene-15-azahexacyclo(7.7.2.1(2,5).0(2,8).0(9,16).0(13,18))nonadecane-3,6,10-triol CH$NAME: Napelline CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C22H33NO3 CH$EXACT_MASS: 359.5132100000001 CH$SMILES: C=C1[C@@H]2C[C@]3(C(C[C@@H]2O)[C@]24C5C[C@H]3[C@H]2N(CC)C[C@]5(C)CC[C@@H]4O)[C@@H]1O CH$IUPAC: InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13-,14-,15?,16?,17-,18+,19+,20-,21-,22-/m0/s1 CH$LINK: CAS 5008-52-6 CH$LINK: PUBCHEM CID:16735924 CH$LINK: INCHIKEY AZAZKLKDEOMJBJ-LVXADFIOSA-N
AC$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$SPLASH: splash10-0006-0009000000-3f4f618607fd452c1e6f PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 341.4 1.15 1 341.5 3.3 3 341.6 6.89 6 341.7 12.74 12 341.8 22.66 22 341.9 38.17 38 342.0 58.2 58 342.1 78.42 78 342.2 93.48 93 342.3 100.0 99 342.4 96.15 96 342.5 80.17 80 342.6 53.34 53 342.7 24.0 23 342.8 3.34 3 359.4 0.72 0 359.5 1.96 1 359.6 4.05 4 359.7 7.01 7 359.8 11.97 11 359.9 20.84 20 360.0 33.71 33 360.1 47.38 47 360.2 57.51 57 360.3 61.87 61 360.4 60.19 60 360.5 51.77 51 360.6 36.53 36 360.7 18.33 18 360.8 4.05 4 //