MassBank Record: CB000204



 14-Benzoyltalatizamine; LC-ESI-QQQ; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CB000204
RECORD_TITLE: 14-Benzoyltalatizamine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
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: 525.69146 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$LINK: INCHIKEY NDYOWPIMXBSPHT-FXMMJRGESA-N
AC$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 58 496.2000 584657.1250 59 496.3000 531268.7500 54 496.4000 466714.6563 47 496.5000 227367.8906 22 496.8000 233071.5781 23 525.3000 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 999 526.2000 9406376.0000 973 526.3000 9190515.0000 951 526.4000 8540478.0000 883 526.5000 6045564.0000 625 526.6000 5505261.5000 569 526.7000 6096907.5000 630 526.8000 6155242.5000 636 526.9000 6402435.5000 662 527.0000 6124569.5000 633 527.1000 5979020.5000 618 527.2000 6118359.5000 632 527.3000 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 246 527.9000 2519180.2500 259 528.0000 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 //