ACCESSION: MSBNK-RIKEN_NPDepo-CB000201
RECORD_TITLE: Karasamine; 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: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
CH$NAME: Karasamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C23H37NO4
CH$EXACT_MASS: 391.5556
CH$SMILES: CCN1C[C@]2(C)CC[C@H](O)[C@@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@H](CC32)[C@@H]14
CH$IUPAC: InChI=1S/C23H37NO4/c1-5-24-11-21(2)7-6-17(25)23-13-8-12-15(27-3)10-22(26,18(13)19(12)28-4)14(20(23)24)9-16(21)23/h12-20,25-26H,5-11H2,1-4H3/t12-,13?,14+,15+,16?,17+,18?,19+,20-,21+,22+,23-/m1/s1
CH$LINK: CAS
84714-33-0
CH$LINK: CHEMSPIDER
2342881
CH$LINK: INCHIKEY
PEUHZLSMLRCFJM-RRSXYISTSA-N
CH$LINK: PUBCHEM
CID:25083394
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: splash10-0006-0009000000-81b46128492bd6d928ce
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
101.1000 384055.1875 31
101.2000 463005.2500 38
101.3000 422946.8125 35
101.4000 319300.5625 26
341.8000 259407.4375 21
341.9000 264268.9063 21
342.0000 290326.2813 23
342.2000 295382.1875 24
342.3000 287214.9688 23
355.9000 363831.5938 29
373.5000 590569.8750 49
373.6000 1309676.8750 110
373.7000 1770154.1250 149
373.8000 2301997.7500 195
373.9000 2343417.2500 198
374.0000 2392226.7500 202
374.1000 2354695.7500 199
374.2000 2252021.5000 190
374.3000 2331750.2500 197
374.4000 2388337.2500 202
374.5000 2865537.7500 243
374.6000 1002238.2500 84
374.7000 641129.0625 53
374.8000 663297.3125 55
374.9000 547594.7500 45
375.0000 608071.1250 50
375.1000 656102.4375 54
375.2000 666214.3125 55
375.3000 680604.0625 56
375.4000 535732.6875 44
375.5000 464949.9375 38
391.3000 440253.6250 36
391.4000 2828007.2500 239
391.5000 7195541.5000 611
391.6000 10015576.0000 851
391.7000 10816161.0000 920
391.8000 11047177.0000 939
391.9000 11004008.0000 936
392.0000 11410233.0000 970
392.1000 11743144.0000 999
392.2000 11661082.0000 992
392.3000 11444068.0000 973
392.4000 11190493.0000 951
392.5000 10632009.0000 904
392.6000 6994471.5000 594
392.7000 6412068.0000 545
392.8000 6459517.5000 549
392.9000 6452321.5000 548
393.0000 6650474.5000 565
393.1000 7001667.5000 595
393.2000 6745564.5000 573
393.3000 6485185.5000 551
393.4000 6015374.0000 511
393.5000 5354410.5000 454
393.6000 2638021.7500 223
393.7000 2238604.0000 189
393.8000 2077981.8750 175
393.9000 2354306.7500 199
394.0000 2332527.7500 197
394.1000 1859410.5000 157
394.2000 2049785.2500 173
394.3000 2568016.2500 217
394.4000 2123484.7500 179
394.5000 1417406.6250 119
394.6000 465727.7188 38
394.7000 345552.4688 28
394.8000 275353.0313 22
394.9000 264074.4063 21
395.2000 291493.0313 23
//
