ACCESSION: MSBNK-RIKEN_NPDepo-CB000127
RECORD_TITLE: Vincanidine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C19H20N2O2
COMMENT: Bottle Name:Vincanidine
COMMENT: PRIME Parent Name:Vincanidine
COMMENT: PRIME in-house No.:V0312
COMMENT: SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids

CH$NAME: (11S,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo(9.5.2.0(1,9).0(2,7).0(14,17))octadeca-2(7),3,5,9-tetraene-10-carbaldehyde
CH$NAME: Vincanidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₉H₂₀N₂O₂
CH$EXACT_MASS: 308.3835
CH$SMILES: C/C=C1/CN2CCC34C(=C(C=O)[C@H]1C[C@H]23)Nc1c(O)cccc14
CH$IUPAC: InChI=1S/C19H20N2O2/c1-2-11-9-21-7-6-19-14-4-3-5-15(23)17(14)20-18(19)13(10-22)12(11)8-16(19)21/h2-5,10,12,16,20,23H,6-9H2,1H3/b11-2-/t12-,16-,19?/m0/s1
CH$LINK: CAS 1630-41-7
CH$LINK: INCHIKEY JDOFCMASVRMYJU-PCKYSSEZSA-N

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-0039000000-5747dec0cc39f6fff30a
PK$NUM_PEAK: 211
PK$PEAK: m/z int. rel.int.
  183.6000 247467.6563 21
  183.8000 282995.2188 24
  183.9000 304171.7188 26
  184.0000 317472.6875 27
  184.1000 316422.5625 27
  184.2000 347749.8438 30
  184.4000 283170.2188 24
  184.5000 289295.6563 25
  184.6000 261468.6406 22
  184.7000 241692.2500 21
  184.8000 254118.1406 22
  185.0000 339349.2500 29
  199.5000 329548.5313 29
  201.4000 253768.1094 22
  201.5000 458182.7188 40
  201.6000 500710.6875 44
  201.7000 458007.7188 40
  201.8000 484609.6250 43
  201.9000 576841.1875 51
  202.0000 611318.7500 54
  202.1000 584366.7500 52
  202.2000 604493.3125 54
  202.3000 346349.7500 30
  210.4000 297346.2188 26
  211.9000 283170.2188 24
  212.1000 278269.9063 24
  212.2000 263218.8125 22
  214.5000 427205.4688 37
  214.6000 648771.3125 58
  214.7000 793681.6250 71
  214.8000 602568.1250 53
  214.9000 496685.3750 44
  215.0000 654021.6875 58
  215.1000 502285.8438 44
  215.2000 586291.8125 52
  215.3000 440331.4375 39
  215.4000 406904.0625 36
  222.8000 260593.5938 22
  223.0000 244667.4688 21
  223.2000 248692.7969 21
  223.5000 312397.2813 27
  223.6000 559164.8750 49
  223.7000 467808.3438 41
  223.8000 298396.3438 26
  223.9000 389752.8125 34
  224.0000 818708.5625 73
  224.1000 656471.8125 58
  224.4000 299796.4063 26
  226.0000 253243.0781 22
  226.1000 262343.7813 22
  226.2000 241692.2344 21
  234.7000 317822.6563 27
  234.8000 323423.1250 28
  234.9000 259543.5156 22
  235.1000 259543.5156 22
  235.2000 245367.4688 21
  235.3000 293845.9688 25
  235.4000 556014.7500 49
  235.5000 706000.4375 63
  235.6000 938067.1250 84
  235.7000 1107479.0000 99
  235.8000 870162.0625 78
  235.9000 855286.1250 76
  236.0000 813808.0625 73
  236.1000 877687.7500 79
  236.2000 682548.6875 61
  236.3000 814508.1875 73
  236.4000 784756.0625 70
  236.5000 478659.1563 42
  236.6000 491785.1563 43
  236.7000 378902.0938 33
  236.8000 337599.0938 29
  236.9000 394303.1250 34
  237.0000 457482.7188 40
  237.1000 371901.5313 32
  237.2000 330598.6563 29
  237.3000 395703.2188 35
  237.4000 575966.0625 51
  237.5000 547089.0625 48
  237.6000 596967.6250 53
  237.7000 724026.7500 65
  237.8000 597317.6875 53
  237.9000 869462.0625 78
  238.0000 615868.8750 55
  238.1000 749928.5000 67
  238.2000 499310.5938 44
  238.3000 568615.5625 50
  238.4000 359300.6563 31
  240.4000 303821.6875 26
  248.6000 323773.1563 28
  249.4000 247817.6875 21
  249.9000 317647.6563 27
  250.2000 248342.6875 21
  250.4000 269169.2188 23
  250.5000 247292.6250 21
  251.2000 415129.6563 36
  251.6000 302596.6563 26
  251.7000 254468.1563 22
  251.8000 331298.6875 29
  251.9000 301896.5938 26
  252.1000 410404.3125 36
  252.2000 247117.6250 21
  252.3000 317647.6563 27
  252.4000 499310.5938 44
  253.4000 247292.6250 21
  253.5000 365076.0313 32
  253.6000 388352.7813 34
  253.7000 373301.6250 33
  253.8000 358775.6250 31
  253.9000 359825.6875 31
  254.0000 269169.2188 23
  254.1000 297521.2188 26
  254.2000 325348.2813 28
  254.3000 296996.1875 26
  254.4000 298746.3438 26
  261.6000 270044.3125 23
  262.3000 266019.0000 23
  263.4000 358775.6250 31
  263.5000 431580.7813 38
  263.6000 592067.3125 52
  263.7000 506311.1563 45
  263.8000 731027.1250 65
  263.9000 611843.7500 54
  264.0000 625319.6250 56
  264.1000 1003696.5625 90
  264.2000 632670.2500 56
  264.3000 478484.1563 42
  264.4000 576491.1250 51
  264.5000 346524.7500 30
  264.6000 268994.2188 23
  264.7000 277044.7813 24
  264.8000 275119.6875 24
  265.1000 969744.2500 87
  265.6000 614993.8750 55
  265.7000 513486.6563 45
  265.8000 483384.5000 43
  265.9000 573165.9375 51
  266.0000 522937.2813 46
  266.1000 617619.0000 55
  266.2000 413554.5313 36
  266.3000 386252.6250 34
  266.4000 632670.2500 56
  266.5000 318872.7500 28
  279.6000 377501.9688 33
  279.7000 356500.5000 31
  279.8000 399203.4688 35
  279.9000 455732.5938 40
  280.0000 342849.4688 30
  280.1000 280019.9688 24
  280.2000 344949.5938 30
  280.3000 408479.1875 36
  280.4000 284220.2813 24
  280.5000 294546.0000 25
  280.6000 368751.3438 32
  280.7000 404978.9375 35
  280.8000 540088.5000 48
  280.9000 506311.1250 45
  281.0000 458007.7500 40
  281.1000 466583.2813 41
  281.2000 375051.7813 33
  281.3000 382927.3438 33
  281.4000 385727.5625 34
  290.8000 284570.3125 24
  291.1000 325348.2813 28
  306.5000 436481.2188 38
  306.6000 418629.8438 37
  306.7000 613243.6875 54
  306.8000 713701.0000 64
  306.9000 733827.3750 65
  307.0000 683948.8125 61
  307.1000 635645.3125 56
  307.2000 552339.4375 49
  307.3000 538863.5000 48
  307.4000 422655.1563 37
  307.6000 249042.7344 21
  307.7000 344599.5938 30
  307.8000 275644.7188 24
  308.2000 441906.5938 39
  308.3000 1425476.7500 128
  308.4000 4853096.5000 441
  308.5000 8843732.0000 805
  308.6000 10039769.0000 914
  308.7000 10630436.0000 968
  308.8000 10693089.0000 973
  308.9000 10746642.0000 978
  309.0000 10659137.0000 970
  309.1000 10968382.0000 999
  309.2000 10355841.0000 943
  309.3000 9868955.0000 898
  309.4000 9632338.0000 877
  309.5000 6870640.0000 625
  309.6000 5634702.5000 512
  309.7000 5295003.0000 481
  309.8000 5080264.0000 462
  309.9000 5176519.0000 470
  310.0000 4702761.5000 427
  310.1000 5222547.5000 475
  310.2000 4836995.0000 439
  310.3000 4599503.5000 418
  310.4000 4366387.0000 397
  310.5000 2078798.2500 188
  310.6000 1390299.2500 125
  310.7000 1079126.8750 97
  310.8000 970619.2500 87
  310.9000 811357.8750 72
  311.0000 947167.6250 85
  311.1000 1025923.1875 92
  311.2000 1000721.5625 90
  311.3000 970094.3750 87
  311.4000 911465.0000 82
  311.5000 411979.4063 36
//