ACCESSION: MSBNK-RIKEN_NPDepo-CB000067
RECORD_TITLE: Nitrarine; 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 tryptophan, beta-Carboline alkaloids, Indole alkaloids

CH$NAME: Nitrarine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₀H₂₅N₃
CH$EXACT_MASS: 307.4424
CH$SMILES: c1ccc2c3c([nH]c2c1)[C@@H]1C2CCC([C@H]4CCCN[C@@H]24)N1CC3
CH$IUPAC: InChI=1S/C20H25N3/c1-2-6-16-12(4-1)13-9-11-23-17-8-7-15(20(23)19(13)22-16)18-14(17)5-3-10-21-18/h1-2,4,6,14-15,17-18,20-22H,3,5,7-11H2/t14-,15?,17?,18-,20+/m1/s1
CH$LINK: CAS 20069-03-8
CH$LINK: CHEMSPIDER 353526
CH$LINK: INCHIKEY SBGPASZOVGSOFJ-AFNOLGPFSA-N
CH$LINK: PUBCHEM CID:129895246

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: splash10-0udi-0902000000-ee426c319712700d628e
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//