ACCESSION: MSBNK-RIKEN_NPDepo-CB000204
RECORD_TITLE: 14-Benzoyltalatizamine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Delphinium alkaloid
CH$NAME: 14-Benzoyltalatizamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C31H43NO6
CH$EXACT_MASS: 525.6915
CH$SMILES: CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC(=O)c5ccccc5)[C@@H](CC23)C14
CH$IUPAC: InChI=1S/C31H43NO6/c1-5-32-16-29(17-35-2)12-11-24(37-4)31-20-13-19-22(36-3)15-30(34,21(27(31)32)14-23(29)31)25(20)26(19)38-28(33)18-9-7-6-8-10-18/h6-10,19-27,34H,5,11-17H2,1-4H3/t19-,20?,21+,22+,23?,24+,25?,26+,27?,29+,30+,31-/m1/s1
CH$LINK: INCHIKEY
NDYOWPIMXBSPHT-FXMMJRGESA-N
CH$LINK: PUBCHEM
CID:16465264
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: splash10-004i-0000190000-d2e14eedb8f94bd9af12
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
493.4000 242116.1875 24
493.5000 604680.5625 61
493.6000 1086726.0000 111
493.7000 1361690.6250 140
493.8000 1651975.1250 170
493.9000 1468687.2500 151
494.0000 1504568.8750 154
494.1000 1513009.2500 155
494.2000 1460478.1250 150
494.3000 1281058.6250 131
494.4000 1112749.7500 114
494.5000 580272.2500 59
494.6000 429788.9063 43
494.7000 495112.2500 50
494.8000 560919.1875 57
494.9000 559083.8750 56
495.0000 532015.9375 54
495.1000 565941.5000 57
495.2000 537686.7500 54
495.3000 498881.8125 50
495.4000 467505.9375 47
495.5000 293526.5313 29
495.6000 394588.6563 39
495.7000 509003.4063 51
495.8000 565381.0000 57
495.9000 598515.2500 61
496.0000 531411.6250 54
496.1000 569623.1250 58
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496.4000 466714.6563 47
496.5000 227367.8906 22
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525.3000 638408.2500 65
525.4000 3054251.0000 315
525.5000 5887464.5000 608
525.6000 8484618.0000 877
525.7000 9165666.0000 948
525.8000 9478117.0000 980
525.9000 9616106.0000 995
526.0000 9617917.0000 995
526.1000 9652832.0000 999
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526.4000 8540478.0000 883
526.5000 6045564.0000 625
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526.7000 6096907.5000 630
526.8000 6155242.5000 636
526.9000 6402435.5000 662
527.0000 6124569.5000 633
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527.3000 6320330.0000 653
527.4000 5201415.5000 537
527.5000 3303191.7500 341
527.6000 2409721.7500 248
527.7000 2407644.5000 248
527.8000 2392709.2500 246
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528.0000 2383159.2500 245
528.1000 2341222.2500 241
528.2000 2304538.5000 237
528.3000 2137768.0000 220
528.4000 1863473.6250 192
528.5000 1096561.8750 112
528.6000 639891.8750 65
528.7000 570821.0625 58
528.8000 536642.7500 54
528.9000 522432.9063 53
529.0000 448691.4063 45
529.1000 456120.5000 46
529.2000 447361.6563 45
529.3000 418722.2500 42
529.4000 413612.0000 41
//
