MassBank Record: BSU00004



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

ACCESSION: BSU00004
RECORD_TITLE: Cycloposine; 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$NAME: Cycloposine CH$NAME: 17,23-Epoxyveratraman-3-yl hexopyranoside CH$COMPOUND_CLASS: Natural Product; Alkaloid; Glycoside CH$FORMULA: C33H51NO7 CH$EXACT_MASS: 573.36655 CH$SMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)OC7C(C(C(C(O7)CO)O)O)O)C)NC1 CH$IUPAC: InChI=1S/C33H51NO7/c1-16-11-25-27(34-14-16)18(3)33(41-25)10-8-21-22-6-5-19-12-20(7-9-32(19,4)24(22)13-23(21)17(33)2)39-31-30(38)29(37)28(36)26(15-35)40-31/h5,16,18,20-22,24-31,34-38H,6-15H2,1-4H3/t16-,18+,20-,21-,22-,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1 CH$LINK: CAS 23185-94-6 CH$LINK: CHEMSPIDER 29377 CH$LINK: PUBCHEM 25078000
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$FOCUSED_ION: PRECURSOR_M/Z 574.0 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0bt9-0910000000-70f4c93f4f32ad0040ed PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 67.1 450 21 81.1 620 29 84.1 2636 123 85.0 1396 65 87.0 607 28 96.1 476 22 97.0 723 34 98.1 433 20 99.1 422 20 100.1 510 24 102.1 1622 76 105.1 795 37 107.1 1412 66 109.1 18640 871 110.1 1448 68 112.1 1320 62 114.1 21391 999 115.1 1534 72 119.1 1143 53 121.1 1241 58 124.1 2057 96 125.1 592 28 126.1 13498 630 127.0 3239 151 127.1 1192 56 129.1 566 26 131.1 2690 126 132.1 560 26 133.1 6998 327 134.1 857 40 135.1 1994 93 140.1 4832 226 142.1 1547 72 143.1 3084 144 144.1 744 35 146.1 1557 73 147.1 3984 186 148.1 485 23 150.1 1254 59 155.1 1514 71 156.1 454 21 157.1 12162 568 158.1 1638 76 159.1 10126 473 160.1 1308 61 161.1 4186 195 162.1 616 29 169.1 2056 96 170.1 451 21 171.1 8058 376 172.1 1142 53 173.1 4883 228 174.1 586 27 175.1 617 29 176.1 481 22 181.1 856 40 182.1 471 22 183.1 3188 149 184.1 709 33 185.1 2784 130 186.1 539 25 187.1 1542 72 195.1 1940 91 196.1 618 29 197.1 2638 123 198.1 646 30 199.1 2028 95 200.1 428 20 209.1 1461 68 211.1 2461 115 212.2 511 24 213.2 5614 262 214.2 1153 54 221.1 544 25 223.1 1004 47 225.2 965 45 235.1 544 25 237.2 917 43 239.2 858 40 249.2 702 33 250.2 538 25 251.2 1279 60 253.2 1251 58 263.2 503 23 264.2 426 20 265.2 540 25 269.2 591 28 277.2 1020 48 278.2 499 23 279.2 1708 80 280.2 499 23 281.2 702 33 457.3 1460 68 458.3 581 27 483.3 1125 53 556.4 886 41 557.4 430 20 574.4 1570 73 575.4 746 35 576.4 434 20 //