MassBank Record: CB000006



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

ACCESSION: CB000006
RECORD_TITLE: Michepressine; 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: Alkaloids derived from anthranilic acid, Quinoline alkaloids

CH$NAME: Michepressine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: [C19H20NO3]+ CH$EXACT_MASS: 310.37615000000005 CH$SMILES: C[N+]1(C)CCc2cc3c(c4c2C1Cc1ccc(O)cc1-4)OCO3 CH$IUPAC: InChI=1S/C19H19NO3/c1-20(2)6-5-12-8-16-19(23-10-22-16)18-14-9-13(21)4-3-11(14)7-15(20)17(12)18/h3-4,8-9,15H,5-7,10H2,1-2H3/p+1 CH$LINK: CAS 25454-85-7 CH$LINK: INCHIKEY DQWPYNHMMBDKES-UHFFFAOYSA-O
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: splash10-08fr-0098000000-3ebc8bd97dfeb6be491c PK$NUM_PEAK: 120 PK$PEAK: m/z int. rel.int. 113.6000 138720.4375 29 113.7000 165617.0625 35 113.8000 109428.8672 23 119.0000 349011.8125 76 119.1000 378763.9688 82 119.2000 492982.6250 108 119.3000 338603.2188 74 119.4000 303692.7188 66 119.5000 126285.3281 26 141.9000 105007.4922 22 142.0000 148207.9219 31 142.1000 169117.3594 36 142.2000 145260.3750 31 142.3000 137246.6875 29 142.4000 123614.0859 26 206.5000 168288.3438 36 206.6000 401699.7813 88 206.7000 408515.9688 89 206.8000 439005.0313 96 206.9000 436333.7500 95 207.0000 478705.2500 105 207.1000 510575.9688 112 207.2000 489113.8750 107 207.3000 422148.5938 92 207.4000 453558.7188 99 207.5000 184131.5625 39 207.9000 107218.1875 22 216.9000 106204.9453 22 217.2000 100033.4375 21 234.4000 220055.1875 47 234.5000 683377.8125 150 234.6000 1207402.1250 266 234.7000 1277683.3750 282 234.8000 1718530.6250 379 234.9000 1504923.1250 332 235.0000 1629642.8750 360 235.1000 1596574.6250 352 235.2000 1519753.3750 335 235.3000 1369334.7500 302 235.4000 1118237.7500 246 235.5000 473086.4375 103 235.6000 340353.2500 74 235.7000 268137.5625 58 235.8000 243451.6094 52 235.9000 291349.7813 63 236.0000 284901.9375 62 236.1000 288494.2813 62 236.2000 298626.5938 65 236.3000 319259.6875 69 236.4000 255334.0313 55 236.5000 108507.7500 23 264.4000 773186.7500 170 264.5000 1585152.7500 350 264.6000 2244857.7500 496 264.7000 2588527.2500 572 264.8000 2966278.0000 656 264.9000 2894061.5000 640 265.0000 2857033.0000 632 265.1000 2725865.7500 603 265.2000 2713246.7500 600 265.3000 2601607.0000 575 265.4000 2056765.1250 454 265.5000 952160.1250 210 265.6000 801004.5625 176 265.7000 660718.3125 145 265.8000 689273.0000 151 265.9000 735236.6875 161 266.0000 693325.8125 152 266.1000 747211.1875 164 266.2000 709998.0000 156 266.3000 648835.8750 142 266.4000 567869.4375 124 266.5000 204396.1875 44 266.6000 175657.2813 37 266.8000 178604.8750 38 266.9000 147010.5000 31 267.0000 156129.5625 33 267.1000 155024.2500 33 267.2000 131719.9375 28 267.3000 152076.6563 32 295.6000 119837.5078 25 295.7000 151984.5469 32 295.8000 177960.0938 38 295.9000 186987.0625 40 296.0000 184592.1094 39 296.1000 188368.7344 40 296.2000 151984.5469 32 296.3000 136417.6719 29 296.4000 114863.4688 24 309.4000 522826.7188 114 309.5000 1931493.2500 427 309.6000 3610047.2500 799 309.7000 4244329.0000 939 309.8000 4400090.0000 974 309.9000 4336072.5000 959 310.0000 4445962.0000 984 310.1000 4223696.0000 935 310.2000 4512191.0000 999 310.3000 3724082.0000 824 310.4000 3096155.5000 685 310.5000 2132573.2500 471 310.6000 1350820.2500 298 310.7000 1290486.8750 285 310.8000 1311672.7500 289 310.9000 1466696.8750 324 311.0000 1448642.8750 320 311.1000 1531451.6250 338 311.2000 1563138.0000 345 311.3000 1295368.8750 286 311.4000 1240009.6250 273 311.5000 559026.7500 122 311.6000 328839.2813 71 311.7000 300008.2500 65 311.8000 233687.7344 50 311.9000 217844.5000 47 312.0000 209001.7500 45 312.1000 242530.5000 52 312.2000 268506.0000 58 312.3000 446281.9375 97 312.4000 147286.8438 31 //