MassBank Record: PB005905



 S,R-Noscapine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005905
RECORD_TITLE: S,R-Noscapine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.20, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2481
COMMENT: CONFIDENCE: confident structure

CH$NAME: S,R-Noscapine CH$NAME: (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C22H23NO7 CH$EXACT_MASS: 413.14745 CH$SMILES: CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 CH$IUPAC: InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1 CH$LINK: INCHIKEY AKNNEGZIBPJZJG-MSOLQXFVSA-N CH$LINK: PUBCHEM CID:275196
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0010900000-8a6afc6a45b278bd8a13 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 179.068 10.010 0 205.071 10.010 0 220.095 1291.291 128 221.097 110.110 10 248.088 10.010 0 324.095 10.010 0 350.075 10.010 0 353.098 160.160 15 354.098 10.010 0 365.097 60.060 5 371.109 10.010 0 383.107 10.010 0 396.140 20.020 1 413.803 10.010 0 414.151 10000.000 999 414.751 10.010 0 415.154 1771.772 176 416.157 90.090 8 //