MassBank Record: CB000138



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

ACCESSION: CB000138
RECORD_TITLE: Vinervine; 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, Strychnos alkaloids, Indole alkaloids

CH$NAME: Vinervine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C20H22N2O3 CH$EXACT_MASS: 338.40994 CH$SMILES: C/C=C1\CN2CCC34C(=C(C(=O)OC)[C@H]1C[C@@H]23)Nc1c(O)cccc14 CH$IUPAC: InChI=1S/C20H22N2O3/c1-3-11-10-22-8-7-20-13-5-4-6-14(23)17(13)21-18(20)16(19(24)25-2)12(11)9-15(20)22/h3-6,12,15,21,23H,7-10H2,1-2H3/b11-3+/t12-,15+,20?/m0/s1 CH$LINK: CAS 1963-86-6 CH$LINK: INCHIKEY FAJVFJABOWWACZ-XMOBNUJDSA-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: splash10-000i-0009000000-623775578232a51213bf PK$NUM_PEAK: 85 PK$PEAK: m/z int. rel.int. 195.8000 192013.6875 24 245.0000 179262.7813 22 264.1000 513286.6875 65 264.2000 334023.8750 42 306.4000 906564.6875 117 306.5000 2247660.2500 292 306.6000 3801521.2500 494 306.7000 4415315.0000 574 306.8000 4403065.5000 573 306.9000 4582077.0000 596 307.0000 4140296.0000 538 307.1000 4027288.0000 524 307.2000 3680262.7500 478 307.3000 3736516.7500 486 307.4000 3315487.0000 431 307.5000 1800378.5000 233 307.6000 1265590.2500 164 307.7000 1366597.5000 177 307.8000 1308343.6250 169 307.9000 1426601.8750 185 308.0000 1287091.8750 166 308.1000 1446353.0000 187 308.2000 1395599.5000 180 308.3000 1120079.8750 145 308.4000 1167833.2500 151 308.5000 364025.9375 46 308.6000 279269.9375 35 308.7000 294021.0000 37 308.8000 202764.4688 25 308.9000 205764.6875 25 309.0000 218515.6094 27 309.2000 243517.3906 30 309.3000 169262.0938 21 309.4000 219765.7188 27 336.5000 203014.4844 25 336.6000 286520.4375 36 336.7000 330523.5938 42 336.8000 454782.4375 58 336.9000 456532.5625 58 337.0000 312772.3438 39 337.1000 418529.8125 53 337.2000 461032.8750 59 337.3000 264768.9063 33 337.4000 348274.8438 44 337.5000 259268.5156 32 337.6000 247267.6563 31 337.8000 335773.8750 42 337.9000 271769.3750 34 338.0000 218265.5938 27 338.1000 418529.8125 53 338.2000 528037.6250 67 338.3000 1642617.2500 213 338.4000 4158046.5000 541 338.5000 6271947.5000 816 338.6000 7313772.0000 952 338.7000 7266768.5000 946 338.8000 7522536.5000 979 338.9000 7338273.5000 955 339.0000 7669297.5000 999 339.1000 7270269.5000 946 339.2000 7058005.0000 919 339.3000 6652725.0000 866 339.4000 6339703.5000 825 339.5000 4236302.5000 551 339.6000 3557004.0000 462 339.7000 3221729.7500 419 339.8000 3072469.2500 399 339.9000 2870955.0000 373 340.0000 3169726.5000 412 340.1000 3405493.2500 443 340.2000 3130473.2500 407 340.3000 2576933.7500 335 340.4000 2535931.2500 329 340.5000 1286841.8750 166 340.6000 882063.1250 114 340.7000 823808.7500 106 340.8000 557039.8125 71 340.9000 416529.6875 53 341.0000 606293.2500 78 341.1000 522037.2813 67 341.2000 517036.9063 66 341.3000 446531.8750 57 341.4000 390277.8750 49 341.5000 231516.5000 29 353.9000 175762.5313 21 //