MassBank Record: NGA01877



 Lasiocarpine; 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: NGA01877
RECORD_TITLE: Lasiocarpine; 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: Alkaloids derived from ornithine, Pyrrolizidine alkaloids

CH$NAME: Lasiocarpine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C21H33NO7 CH$EXACT_MASS: 411.49966000000006 CH$SMILES: C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)(C(C)OC)C(C)(C)O)[C@H]12 CH$IUPAC: InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14?,16-,17+,21?/m0/s1 CH$LINK: CAS 303-34-4 CH$LINK: PUBCHEM CID:4882008 CH$LINK: INCHIKEY QHOZSLCIKHUPSU-UHLCJWRDSA-N
AC$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$SPLASH: splash10-03di-0000900000-e4f8fb54eafa30891ba6 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 219.8 2.27 2 219.9 3.42 3 220.0 4.47 4 220.1 5.02 5 220.2 4.95 4 220.3 4.43 4 220.4 3.59 3 220.5 2.46 2 411.3 0.39 0 411.4 1.73 1 411.5 4.46 4 411.6 8.65 8 411.7 15.33 15 411.8 26.95 26 411.9 44.92 44 412.0 66.62 66 412.1 86.14 86 412.2 98.15 98 412.3 100.0 99 412.4 90.4 90 412.5 69.37 69 412.6 41.37 41 412.7 15.75 15 412.8 0.57 0 //