ACCESSION: MSBNK-Boise_State_Univ-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: C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](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 CID:25078000
CH$LINK: INCHIKEY OSOOWXRUSUHLOX-PBFVMIKGSA-N

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
//