ACCESSION: MSBNK-RIKEN_NPDepo-CB000050
RECORD_TITLE: Convolamine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
CH$NAME: Convolamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C17H23NO4
CH$EXACT_MASS: 305.3772
CH$SMILES: COc1ccc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1OC
CH$IUPAC: InChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3/t12-,13+,14+
CH$LINK: CAS
500-56-1
CH$LINK: CHEMSPIDER
372165
CH$LINK: INCHIKEY
AEFPCFUCFQBXDQ-WDNDVIMCSA-N
AC$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$SPLASH: splash10-0a4i-0209000000-5da5e71637de41934397
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
101.1000 232016.5156 22
101.2000 269519.1250 25
101.3000 385360.8125 37
101.4000 446698.6250 43
101.5000 232016.5156 22
123.5000 2102983.5000 209
123.6000 4123961.2500 411
123.7000 4773173.5000 476
123.8000 4180465.2500 417
123.9000 3631592.5000 362
124.0000 4195132.0000 418
124.1000 4496653.5000 448
124.2000 4331976.0000 432
124.3000 4030454.0000 402
124.4000 3795104.2500 378
124.5000 2996213.5000 298
124.6000 911065.0000 90
124.7000 494535.2500 48
124.8000 580041.4375 57
124.9000 683048.8125 67
125.0000 536704.9375 52
125.1000 611877.0000 60
125.2000 464699.8438 45
125.3000 387527.6563 37
125.4000 395861.5938 38
125.5000 225016.0313 21
291.7000 275686.3125 26
291.8000 392028.0000 38
291.9000 380027.1875 37
292.0000 258018.3906 24
292.1000 283020.2188 27
292.2000 253018.0469 24
305.4000 3931113.7500 392
305.5000 7801722.0000 779
305.6000 9560848.0000 955
305.7000 9604686.0000 959
305.8000 9916875.0000 991
305.9000 9981379.0000 997
306.0000 9995713.0000 999
306.1000 9929876.0000 992
306.2000 9360668.0000 935
306.3000 9068647.0000 906
306.4000 8477772.0000 847
306.5000 5602732.5000 559
306.6000 3938614.5000 393
306.7000 4171964.5000 416
306.8000 3921613.2500 391
306.9000 4080624.5000 407
307.0000 4412648.0000 440
307.1000 4333475.5000 432
307.2000 4213300.5000 420
307.3000 4047622.0000 403
307.4000 3509750.7500 350
307.5000 2341334.0000 233
307.6000 1237421.7500 122
307.7000 1138414.6250 112
307.8000 943567.3125 93
307.9000 923065.9375 91
308.0000 1059908.7500 105
308.1000 977736.4375 96
308.2000 835226.4375 82
308.3000 842893.5000 83
308.4000 1048908.1250 103
308.5000 596542.6250 58
//
