MassBank Record: CB000133



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

ACCESSION: CB000133
RECORD_TITLE: Macusine B; 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: Monoterpenoid indole alkaloids, Bisindole alkaloids, Indole alkaloids

CH$NAME: Macusine B CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: [C20H25N2O]+ CH$EXACT_MASS: 309.43505 CH$SMILES: C/C=C1/C[N+]2(C)C3CC1C(CO)C2Cc1c3[nH]c2ccccc12 CH$IUPAC: InChI=1S/C20H25N2O/c1-3-12-10-22(2)18-9-15-13-6-4-5-7-17(13)21-20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,21,23H,8-11H2,1-2H3/q+1/b12-3- CH$LINK: INCHIKEY KRTATNOTKFNEFT-BASWHVEKSA-N
AC$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]+
PK$SPLASH: splash10-0a4i-0349000000-4f18ab39611b7c0a26a7 PK$NUM_PEAK: 203 PK$PEAK: m/z int. rel.int. 121.7000 229460.7969 23 121.8000 228942.2500 23 121.9000 248128.8594 25 122.0000 257462.8438 26 122.1000 255647.8906 26 122.3000 217015.4688 22 133.5000 325652.8438 33 133.6000 452958.2813 47 133.7000 551483.8750 57 133.8000 708346.8750 74 133.9000 745942.1250 78 134.0000 559002.8750 58 134.1000 721051.5625 75 134.2000 619155.3125 64 134.3000 522963.2813 54 134.4000 695901.6250 73 134.5000 924584.5000 97 134.6000 807131.6250 84 134.7000 875321.7500 92 134.8000 930029.3125 97 134.9000 984218.5000 103 135.0000 848356.7500 89 135.1000 1257756.3750 132 135.2000 794167.7500 83 135.3000 720792.1875 75 135.4000 730126.1250 76 135.5000 762276.6250 80 135.6000 752424.1250 79 135.7000 553558.0000 57 135.8000 986551.9375 103 135.9000 857690.8750 90 136.0000 2036367.6250 215 136.1000 1110227.5000 117 136.2000 719236.6250 75 136.3000 738941.5625 77 136.4000 417955.7813 43 136.5000 429363.9688 44 143.9000 211052.1094 21 144.0000 210792.8281 21 147.6000 340950.2813 35 147.7000 265241.1563 27 147.8000 512332.9375 53 147.9000 573003.8750 59 148.0000 439216.5000 45 148.1000 459958.7500 47 148.2000 363766.6563 37 148.3000 348210.0313 36 148.4000 284168.4375 29 148.9000 215719.0938 21 151.4000 279501.4375 28 151.5000 539557.0625 56 151.6000 1209790.0000 127 151.7000 1610892.7500 170 151.8000 1501477.7500 158 151.9000 1366134.5000 144 152.0000 1450918.6250 153 152.1000 1448066.1250 153 152.2000 1652118.1250 174 152.3000 1072372.7500 113 152.4000 1332687.5000 140 152.5000 682937.6875 71 152.6000 303873.5625 31 152.8000 239572.6719 24 152.9000 231794.3125 23 153.0000 224793.7969 22 153.1000 244498.9531 25 153.2000 246313.9219 25 155.6000 241387.6094 24 155.8000 218830.4063 22 159.5000 476034.0000 49 159.6000 514925.6875 53 159.7000 2217343.2500 234 159.8000 1450918.6250 153 159.9000 540594.2500 56 160.0000 735311.7500 77 160.1000 676196.3750 70 160.2000 563410.5625 58 160.3000 581041.5000 60 160.4000 644823.8125 67 160.5000 437142.2813 45 160.8000 211570.6719 21 160.9000 224793.7969 22 161.3000 243980.3906 24 161.4000 225312.3594 22 178.3000 214941.2813 21 260.4000 357025.5000 36 260.5000 411214.5625 42 260.6000 688901.1250 72 260.7000 599968.7500 62 260.8000 604376.5000 63 260.9000 570670.3125 59 261.0000 541631.3125 56 261.1000 597635.3125 62 261.2000 505850.9375 52 261.3000 482515.8750 50 261.4000 587264.1875 61 261.5000 388138.8438 40 261.6000 271204.5625 27 261.7000 282353.5000 29 261.8000 287020.5000 29 261.9000 344061.6563 35 262.0000 275871.5625 28 262.1000 297650.9375 30 262.2000 234387.1250 23 262.3000 243202.5625 24 262.4000 220386.0781 22 275.8000 360396.1563 37 275.9000 968402.5000 102 276.0000 226090.2031 23 290.4000 1210567.8750 127 290.5000 3096295.0000 328 290.6000 4292084.0000 455 290.7000 4931463.0000 523 290.8000 5220816.5000 554 290.9000 5332048.0000 566 291.0000 5325047.0000 565 291.1000 5499541.0000 583 291.2000 5496429.5000 583 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341.2000 338357.5000 34 341.3000 240869.0781 24 341.4000 217793.3438 22 341.5000 277427.1875 28 341.6000 244239.6875 24 //