MassBank Record: CB000091



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

ACCESSION: CB000091
RECORD_TITLE: Cepharanthine; 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: Isoquinoline alkaloids, Benzylisoquinoline alkaloids

CH$NAME: Cepharanthine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C37H38N2O6 CH$EXACT_MASS: 606.7252100000001 CH$SMILES: COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C CH$IUPAC: InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1 CH$LINK: CAS 481-49-2 CH$LINK: PUBCHEM CID:9791 CH$LINK: INCHIKEY YVPXVXANRNDGTA-WDYNHAJCSA-N
AC$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$SPLASH: splash10-0udi-0009011000-ef1560fc4779bfeb5c70 PK$NUM_PEAK: 194 PK$PEAK: m/z int. rel.int. 109.1000 397395.0625 25 109.2000 545338.9375 35 121.7000 391094.5938 25 121.8000 529237.8750 34 121.9000 391561.3125 25 122.0000 422130.1875 27 122.1000 385494.2500 24 122.2000 507069.5313 33 122.3000 332523.7500 21 157.5000 396694.9688 25 157.6000 1114246.2500 74 181.4000 795023.4375 52 188.6000 329956.9375 21 188.8000 1733557.2500 115 189.6000 417696.4688 27 189.7000 451065.5000 29 189.8000 519903.7500 34 189.9000 564473.6250 37 190.0000 656646.8750 43 190.1000 722218.2500 47 190.2000 633311.8750 41 190.3000 734819.1875 48 190.4000 742986.3750 49 190.5000 431697.5000 28 190.6000 428663.9063 27 190.8000 339057.5625 21 191.6000 668081.0000 43 191.7000 706117.1875 46 196.8000 399261.8750 25 212.6000 363325.9063 23 226.7000 990104.0000 65 233.9000 482801.1563 31 240.5000 370793.1875 23 240.6000 327623.3750 21 240.7000 417229.8438 27 240.8000 412096.0313 26 240.9000 350491.6563 22 241.0000 458766.0625 29 241.1000 360292.3750 23 241.2000 514303.3750 33 252.9000 326689.9688 21 268.0000 413262.8125 26 287.9000 426797.1250 27 288.0000 766088.0625 50 288.1000 1028373.4375 68 288.2000 1002238.2500 66 288.3000 1156015.8750 76 288.4000 1271290.6250 84 288.5000 1418534.6250 94 288.6000 1253789.5000 83 288.7000 1302793.0000 86 288.8000 1246089.0000 82 288.9000 1233021.2500 82 289.0000 989637.4375 65 289.1000 704950.3750 46 289.2000 717317.8125 47 289.3000 691182.7500 45 289.4000 651279.8125 42 289.5000 511736.5313 33 289.6000 420030.0313 27 289.8000 345357.9688 22 295.8000 357725.5625 23 296.0000 351658.4063 22 296.3000 363325.9063 23 296.9000 347224.8125 22 303.3000 1972274.1250 131 303.4000 7341657.5000 493 303.5000 10951816.0000 736 303.6000 12142367.0000 816 303.7000 12840084.0000 863 303.8000 12944857.0000 870 303.9000 13640239.0000 917 304.0000 13911160.0000 935 304.1000 13897625.0000 934 304.2000 14848061.0000 999 304.3000 13836719.0000 930 304.4000 13514465.0000 909 304.5000 11611031.0000 780 304.6000 10923113.0000 734 304.7000 8745491.0000 587 304.8000 8787961.0000 590 304.9000 8399434.0000 564 305.0000 5450589.0000 366 305.1000 4432950.0000 297 305.2000 4067757.2500 272 305.3000 3897411.5000 261 305.4000 3031916.2500 203 305.5000 1677786.5000 111 305.6000 1146915.2500 76 305.7000 749053.5625 49 305.8000 627011.3750 41 305.9000 537638.3125 35 306.0000 336257.3750 21 310.7000 473933.8438 30 324.1000 382460.6250 24 324.5000 352358.4688 22 324.6000 350725.0625 22 324.9000 331356.9688 21 349.4000 367992.9063 23 349.5000 465766.5625 30 349.6000 396461.6875 25 349.7000 396461.6875 25 349.9000 451998.9375 29 350.0000 389927.8125 25 350.1000 348158.1875 22 350.2000 340224.3125 21 366.6000 430297.4063 27 366.7000 415129.6250 26 366.8000 484901.2813 31 366.9000 519670.4063 33 367.0000 650579.7500 42 367.1000 569607.3750 37 367.2000 898630.8750 59 424.8000 375926.7813 24 427.0000 487001.4063 31 439.5000 422130.0938 27 439.6000 400428.6250 25 439.7000 509403.0625 33 439.8000 468800.0938 30 439.9000 487701.5625 31 440.0000 483501.1250 31 440.1000 527137.5625 34 440.2000 447798.6250 29 440.3000 428897.3125 27 441.7000 362392.5313 23 441.9000 326923.3125 21 442.0000 378493.6875 24 532.5000 484434.6563 31 532.6000 642179.1250 42 532.7000 689782.5000 45 532.8000 675081.5625 44 532.9000 721051.4375 47 533.0000 740652.8125 48 533.1000 667381.0000 43 533.2000 729918.8125 48 533.3000 640312.3750 42 533.6000 428197.2813 27 533.7000 329723.5313 21 548.6000 338824.1250 21 548.7000 589442.1250 38 563.4000 608110.0625 39 563.5000 1663085.6250 111 563.6000 2452275.0000 164 563.7000 2273062.2500 152 563.8000 2398371.2500 160 563.9000 2524380.2500 169 564.0000 2473276.5000 165 564.1000 2435007.5000 162 564.2000 2176688.7500 145 564.3000 2166421.2500 144 564.4000 1289958.7500 85 564.5000 1004805.1250 66 564.6000 1151349.0000 76 564.7000 1159749.3750 77 564.8000 1323094.3750 88 564.9000 1101412.0000 73 565.0000 1063142.5000 70 565.1000 1202919.1250 80 565.2000 1050541.6250 69 565.3000 902364.3750 59 565.4000 438231.2813 28 565.7000 398795.1563 25 565.8000 333223.8438 21 566.1000 360292.4063 23 606.4000 536471.5625 35 606.5000 1279924.6250 85 606.6000 2156620.7500 144 606.7000 2501978.7500 167 606.8000 2499878.5000 167 606.9000 2389270.5000 159 607.0000 2631954.5000 176 607.1000 2654589.7500 177 607.2000 2626821.0000 175 607.3000 2101783.2500 140 607.4000 1281791.3750 85 607.5000 1108879.2500 73 607.6000 987070.5625 65 607.7000 1275724.3750 84 607.8000 1117979.8750 74 607.9000 965835.6875 64 608.0000 1085544.1250 72 608.1000 1140614.6250 75 608.2000 1150415.3750 76 608.3000 947167.5625 62 608.4000 535538.2500 35 608.5000 477667.3750 31 608.6000 556306.4375 36 608.7000 540905.3125 35 608.8000 548372.5625 35 608.9000 471133.6250 30 609.0000 419329.8750 27 609.1000 371726.5000 24 609.2000 387827.7188 25 609.3000 338590.8125 21 //