MassBank Record: BSU00001



 Veratramine; LC-ESI-TOF; MS2; CE: 50 V 
Mass Spectrum
Chemical Structure

ACCESSION: BSU00001
RECORD_TITLE: Veratramine; LC-ESI-TOF; MS2; CE: 50 V
DATE: 2016.01.19 (Created 2012.12.18, modified 2013.07.16)
AUTHORS: Chandler, C. and Habig, J. Boise State University
LICENSE: CC BY-SA
COPYRIGHT: Chandler, C., Habig, J. and McDougal O. Boise State University
COMMENT: Data obtained from a veratramine standard purchased from Logan Natural Products, Logan, Utah USA.

CH$NAME: Veratramine CH$NAME: (3beta,23R)-14,15,16,17-Tetradehydroveratraman-3,23-diol CH$COMPOUND_CLASS: Natural Product; Alkaloid CH$FORMULA: C27H39NO2 CH$EXACT_MASS: 409.29807 CH$SMILES: CC1CC(C(NC1)C(C)C2=C(C3=C(C=C2)C4CC=C5CC(CCC5(C4C3)C)O)C)O CH$IUPAC: InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1 CH$LINK: CAS 60-70-8 CH$LINK: CHEBI 9951 CH$LINK: CHEMSPIDER 5845 CH$LINK: KEGG C10829 CH$LINK: KNAPSACK C00002270 CH$LINK: NIKKAJI J4.805D CH$LINK: PUBCHEM 13012
AC$INSTRUMENT: Bruker maXis ESI-QTOF AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_M/Z 410.3 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0960000000-77302b0326a418630a84 PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 84.1 12461 32 105.1 2208 6 107.1 2394 6 114.1 40390 105 115.1 2816 7 119.1 3122 8 121.1 2233 6 124.1 31739 82 125.1 2905 8 129.1 2850 7 131.1 49572 129 132.1 4865 13 133.1 81554 212 134.1 8725 23 141.1 1570 4 144.1 1940 5 145.1 41441 108 146.1 4421 11 147.1 5354 14 151.1 3257 8 154.1 1568 4 155.1 10003 26 156.1 6505 17 157.1 143020 372 158.1 17481 45 159.1 82905 215 160.1 11221 29 161.1 2347 6 167.1 2176 6 168.1 2768 7 169.1 46331 120 170.1 6508 17 171.1 134721 350 172.1 18235 47 173.1 3731 10 175.1 2015 5 179.1 1858 5 180.1 1535 4 181.1 10257 27 182.1 4717 12 183.1 41396 108 184.1 7101 18 185.1 6914 18 192.1 1409 4 193.1 6170 16 194.1 2234 6 195.1 14163 37 196.1 4474 12 197.1 15633 41 198.1 2557 7 199.1 1506 4 206.1 3117 8 207.1 10875 28 208.1 3128 8 209.1 8959 23 210.1 1778 5 211.1 19727 51 212.2 3417 9 219.1 2485 6 220.1 4278 11 221.1 13267 34 222.1 5170 13 223.1 4101 11 225.2 1653 4 233.1 6156 16 234.1 3148 8 235.2 13261 34 236.2 4846 13 237.2 4596 12 247.2 6331 16 248.2 6908 18 249.2 6605 17 251.2 2136 6 261.2 1339 3 262.2 16113 42 263.2 4055 11 265.2 1366 4 277.2 29461 77 278.2 6409 17 280.2 6501 17 281.2 8268 21 282.2 1857 5 295.2 384391 999 296.2 86672 225 297.2 10146 26 309.2 2642 7 319.2 3763 10 320.2 2207 6 333.2 3370 9 362.3 1851 5 363.3 1716 4 375.3 2380 6 376.3 1392 4 377.3 1755 5 392.3 23807 62 393.3 6937 18 396.3 2914 8 410.3 6059 16 411.3 1871 5 414.3 9233 24 //