MassBank Record: PB002021



 Noscapine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB002021
RECORD_TITLE: Noscapine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.06.05, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 1361
COMMENT: CONFIDENCE: confident structure

CH$NAME: Noscapine CH$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$COMPOUND_CLASS: Natural Product; Isoquinoline Alkaloids CH$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: TSQ 7000 AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0094200000-0bdf0a92603c3eb703d7 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 44.000 16.145 0 165.000 14.977 0 179.000 436.168 42 180.000 18.918 0 191.000 16.904 0 193.000 13.443 0 205.000 46.800 3 206.000 252.327 24 209.000 10.267 0 218.000 42.843 3 219.000 87.007 7 220.000 10000.000 999 221.000 55.552 4 236.000 11.713 0 248.000 126.597 11 249.000 12.785 0 280.000 13.115 0 292.000 16.925 0 295.000 33.959 2 304.000 13.020 0 305.000 11.710 0 306.000 22.360 1 307.000 53.815 4 308.000 33.313 2 309.000 21.459 1 310.000 16.449 0 312.000 22.095 1 320.000 18.949 0 321.000 19.465 0 322.000 53.812 4 323.000 186.076 17 324.000 213.423 20 325.000 70.351 6 326.000 10.333 0 327.000 28.918 1 334.000 122.788 11 335.000 74.751 6 336.000 11.878 0 337.000 43.040 3 338.000 62.788 5 339.000 19.396 0 341.000 13.635 0 349.000 12.279 0 350.000 309.981 29 351.000 27.431 1 352.000 169.111 15 353.000 2429.613 241 354.000 44.005 3 355.000 51.728 4 363.000 14.262 0 365.000 624.552 61 366.000 87.699 7 367.000 19.348 0 368.000 24.656 1 371.000 23.727 1 378.000 59.639 4 381.000 139.572 12 383.000 62.508 5 396.000 149.525 13 397.000 12.869 0 399.000 14.777 0 414.000 2414.460 240 415.000 59.034 4 //