MassBank Record: BSU00003



 Veratrosine; LC-ESI-TOF; MS2; CE: 60 V 
Mass Spectrum
Chemical Structure

ACCESSION: BSU00003
RECORD_TITLE: Veratrosine; LC-ESI-TOF; MS2; CE: 60 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 an ethanol extract of Veratrum californicum. Separation was accomplished with reversed-phase high performance chromatography.

CH$NAME: Veratrosine CH$NAME: (10xi,25xi)-23-hydroxy-14,15,16,17-tetradehydroveratraman-3-yl hexopyranoside CH$COMPOUND_CLASS: Natural Product; Alkaloid; Glycoside CH$FORMULA: C33H49NO7 CH$EXACT_MASS: 571.35090 CH$SMILES: O(C6CCC5(C(=C/CC4C3/C(=C(/C)C1(OC2CC(C)CNC2C1C)CC3)CC45)\C6)C)C7OC(C(O)C(O)C7O)CO CH$IUPAC: InChI=1S/C33H51NO7/c1-16-11-25-27(34-14-16)18(3)33(41-25)10-8-21-22-6-5-19-12-20(7-9-32(19,4)24(22)13-23(21)17(33)2)39-31-30(38)29(37)28(36)26(15-35)40-31/h5,16,18,20-22,24-31,34-38H,6-15H2,1-4H3 CH$LINK: CAS 475-00-3 CH$LINK: CHEMSPIDER 9730 CH$LINK: PUBCHEM 10136
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$FOCUSED_ION: PRECURSOR_M/Z 572.0 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0920100000-8651467a6947052b4486 PK$NUM_PEAK: 99 PK$PEAK: m/z int. rel.int. 84.1 8514 161 85.1 1990 38 87.0 1086 21 97.0 907 17 99.0 621 12 102.1 1378 26 105.1 1079 20 107.1 1487 28 109.0 595 11 114.1 24670 466 115.1 1090 21 117.1 632 12 119.1 923 17 121.1 1605 30 124.1 14061 266 125.1 1132 21 127.0 5420 102 129.1 1547 29 131.1 33515 634 132.1 3012 57 133.1 22268 421 134.1 1795 34 141.1 716 14 142.1 25511 482 144.1 972 18 146.1 3220 61 147.1 1862 35 155.1 3885 73 156.1 1594 30 157.1 41920 793 158.1 4339 82 159.1 43767 828 160.1 4189 79 161.1 600 11 167.1 896 17 168.1 881 17 169.1 16537 313 170.1 2185 41 171.1 38341 725 172.1 3981 75 173.1 1672 32 179.1 592 11 181.1 5711 108 182.1 1398 26 183.1 15359 290 184.1 2181 41 185.1 3474 66 193.1 1672 32 194.1 562 11 195.1 6745 128 196.1 1357 26 197.1 5008 95 198.1 746 14 206.1 793 15 207.1 3659 69 208.1 873 17 209.1 3399 64 210.1 570 11 211.1 8018 152 212.1 1334 25 219.1 830 16 220.1 882 17 221.1 5273 100 222.1 1248 24 223.1 1604 30 233.1 1654 31 234.1 896 17 235.1 5376 102 236.2 1189 22 237.2 841 16 247.1 1228 23 248.2 1608 30 249.2 2289 43 250.2 552 10 251.2 559 11 258.1 904 17 261.2 572 11 262.2 4310 81 263.2 1347 25 275.2 730 14 277.2 25101 475 278.2 4406 83 279.2 804 15 293.2 715 14 295.2 6143 116 296.2 1133 21 301.2 670 13 392.3 640 12 443.2 765 14 457.3 52835 999 458.3 13605 257 459.3 1366 26 471.3 555 10 495.3 646 12 537.3 786 15 554.3 6340 120 555.3 1958 37 572.4 2056 39 573.4 627 12 //