ACCESSION: MSBNK-RIKEN_NPDepo-CB000130
RECORD_TITLE: Vincadifformine; 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: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
CH$NAME: Vincadifformine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C21H26N2O2
CH$EXACT_MASS: 338.4536
CH$SMILES: CC[C@]12CCCN3CCC4(C(=C(C(=O)OC)C1)Nc1ccccc14)C32
CH$IUPAC: InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19?,20-,21?/m0/s1
CH$LINK: CAS
3247-10-7
CH$LINK: CHEMSPIDER
85064
CH$LINK: INCHIKEY
GIGFIWJRTMBSRP-KBWCOIMZSA-N
AC$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$SPLASH: splash10-000i-0009000000-074dc5f1ff79d53c5d61
PK$NUM_PEAK: 115
PK$PEAK: m/z int. rel.int.
123.6000 400985.6250 34
123.7000 505014.5313 43
123.8000 433504.0938 37
123.9000 599634.2500 51
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380.2000 553792.2500 47
380.3000 427105.7813 36
380.4000 272342.0313 22
//
