MassBank Record: NGA02784



 N-(2-Hydroxyethyl)cytisine; 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: NGA02784
RECORD_TITLE: N-(2-Hydroxyethyl)cytisine; 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: Formula(Parent): C13H18N2O2
COMMENT: Bottle Name:12-(3-hydroxyethyl)cytisine
COMMENT: PRIME Parent Name:12-(3-hydroxyethyl)cytisine
COMMENT: PRIME in-house No.:V0330
COMMENT: SubCategory_DNP: Alkaloids derived from lysine, More complex lysine-derived alkaloids, Cytisine alkaloids

CH$NAME: N-(2-Hydroxyethyl)cytisin CH$NAME: (1S,9R)-11-(2-hydroxyethyl)-7,11-diazatricyclo(7.3.1.0(2,7))trideca-2,4-dien-6-one CH$NAME: N-(2-Hydroxyethyl)cytisine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C13H18N2O2 CH$EXACT_MASS: 234.30060999999998 CH$SMILES: O=c1cccc2n1CC1CC2CN(CCO)C1 CH$IUPAC: InChI=1S/C13H18N2O2/c16-5-4-14-7-10-6-11(9-14)12-2-1-3-13(17)15(12)8-10/h1-3,10-11,16H,4-9H2 CH$LINK: CAS 329221-11-6 CH$LINK: PUBCHEM CID:3001532 CH$LINK: INCHIKEY YACCDFQYQYSQKW-UHFFFAOYSA-N
AC$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$SPLASH: splash10-000i-0090000000-d044fe35a739f0b75bc3 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 234.3 0.22 0 234.4 1.7 1 234.5 5.86 5 234.6 13.28 13 234.7 24.56 24 234.8 40.45 40 234.9 60.37 60 235.0 80.4 80 235.1 94.83 94 235.2 100.0 99 235.3 94.67 94 235.4 77.9 77 235.5 51.27 51 235.6 22.81 22 235.7 3.1 3 //