ACCESSION: MSBNK-RIKEN_NPDepo-CB000131
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$FORMULA: C₂₁H₂₇N₂O₂⁺
CH$EXACT_MASS: 339.4615
CH$SMILES: CCC12CCCN3CCC4(C(=C(C(=O)OC)C1)[NH2+]c1ccccc14)[C@@H]32
CH$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/p+1/t19-,20?,21?/m0/s1
CH$LINK: CAS 3247-10-7
CH$LINK: CHEMSPIDER 85064
CH$LINK: INCHIKEY GIGFIWJRTMBSRP-MWXLCCTBSA-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$SPLASH: splash10-000i-0009000000-8f7be9c0905a549c36d4
PK$NUM_PEAK: 127
PK$PEAK: m/z int. rel.int.
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//