ACCESSION: MSBNK-RIKEN_NPDepo-CB000074
RECORD_TITLE: Isomajdine; 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): C23H28N2O6
COMMENT: Bottle Name:Isomajdine
COMMENT: PRIME Parent Name:Isomajdine
COMMENT: PRIME in-house No.:V0302
COMMENT: SubCategory_DNP: Alkaloids derived from tryptophan, Secologanin typtamine alkaloids, Indole alkaloids
CH$NAME: methyl (10S,15S,16S,18S,22S)-6,7-dimethoxy-22-methyl-2-oxo-21-oxa-12-azaspiro(indoline-3,6'-tricyclo(7.4.0.0(3,7))tridecane)-19-ene-19-carboxylate
CH$NAME: Isomajdine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C23H28N2O6
CH$EXACT_MASS: 428.4894
CH$SMILES: COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(O)=Nc5c4ccc(OC)c5OC)[C@@H]3C[C@H]12
CH$IUPAC: InChI=1S/C23H28N2O6/c1-12-14-10-25-8-7-23(18(25)9-13(14)15(11-31-12)21(26)30-4)16-5-6-17(28-2)20(29-3)19(16)24-22(23)27/h5-6,11-14,18H,7-10H2,1-4H3,(H,24,27)/t12-,13-,14-,18-,23-/m0/s1
CH$LINK: CAS
20497-41-0
CH$LINK: INCHIKEY
TTZWEOINXHJHCY-AYEVVIACSA-N
CH$LINK: PUBCHEM
CID:12309438
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-0001900000-945d888609d3799e6b6c
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
219.5000 270479.3125 31
219.6000 372286.6250 44
219.7000 423170.2500 50
219.8000 479534.2500 57
219.9000 477454.0938 56
220.0000 508836.3125 60
220.1000 542858.8125 64
220.2000 467833.5313 55
220.3000 500095.6875 59
220.4000 447712.0313 53
260.5000 201834.4219 23
260.6000 316402.5313 37
260.7000 349504.9688 41
260.8000 349244.9688 41
260.9000 398568.4688 47
261.0000 315482.5625 37
261.1000 302801.6563 35
261.2000 291280.8438 34
261.3000 255718.2813 30
261.4000 260498.6406 30
299.0000 208714.9063 24
299.1000 206914.7813 24
352.8000 211595.0938 24
352.9000 204054.5938 23
353.1000 191913.7344 22
396.4000 663767.5000 79
396.5000 1546870.5000 186
396.6000 2100970.2500 253
396.7000 2265042.0000 273
396.8000 2445994.5000 295
396.9000 2344187.5000 283
397.0000 2341106.7500 282
397.1000 2298964.2500 277
397.2000 2352588.5000 284
397.3000 2064027.7500 249
397.4000 1666658.8750 201
397.5000 871462.2500 104
397.6000 758214.1875 90
397.7000 748653.3750 89
397.8000 737812.7500 88
397.9000 701250.1250 84
398.0000 686489.0625 82
398.1000 741893.0625 88
398.2000 679248.6250 81
398.3000 587182.0000 70
398.4000 514756.7813 61
398.5000 257478.3906 30
398.6000 206354.7344 24
398.7000 185433.2813 21
398.8000 184593.2031 21
398.9000 190573.6406 22
399.0000 228016.2813 26
399.1000 222535.8750 25
426.6000 204954.6563 23
426.7000 250877.8750 29
426.8000 249817.8750 29
426.9000 255278.2188 29
427.0000 255398.2344 29
427.1000 264898.9063 31
427.2000 244537.4688 28
427.3000 222995.9219 26
428.2000 365886.2188 43
428.3000 1917877.1250 231
428.4000 4846747.0000 586
428.5000 7101888.5000 860
428.6000 7972310.5000 965
428.7000 8033774.0000 973
428.8000 8092177.5000 980
428.9000 8242389.5000 998
429.0000 8248209.0000 999
429.1000 8015193.0000 970
429.2000 7682788.5000 930
429.3000 7216936.0000 873
429.4000 6315371.0000 764
429.5000 4034208.0000 488
429.6000 4068889.7500 492
429.7000 4448797.5000 538
429.8000 4418716.0000 534
429.9000 4320909.0000 522
430.0000 4453959.0000 538
430.1000 4331729.5000 524
430.2000 4337929.5000 524
430.3000 4061970.0000 491
430.4000 3402623.5000 411
430.5000 1864552.8750 225
430.6000 1623316.2500 195
430.7000 1515788.5000 182
430.8000 1501347.1250 181
430.9000 1450383.8750 174
431.0000 1722983.1250 207
431.1000 1381978.6250 166
431.2000 1243009.0000 149
431.3000 1142501.6250 137
431.4000 954148.2500 114
431.5000 456572.5938 54
431.6000 318642.8125 37
431.7000 266719.0313 31
431.8000 268779.2188 31
431.9000 248457.7344 29
432.0000 219635.7344 25
432.1000 209494.9688 24
432.2000 197854.1406 22
432.3000 185713.2656 21
//
