ACCESSION: MSBNK-RIKEN_NPDepo-CB000015
RECORD_TITLE: Perforine; 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 anthranilic acid, Quinoline alkaloids
CH$NAME: Perforine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C18H25NO5
CH$EXACT_MASS: 335.4037
CH$SMILES: COc1c2c(nc3occc13)C(CCC(C)(C)O)(OC)C(O)CC2
CH$IUPAC: InChI=1S/C18H25NO5/c1-17(2,21)8-9-18(23-4)13(20)6-5-11-14(22-3)12-7-10-24-16(12)19-15(11)18/h7,10,13,20-21H,5-6,8-9H2,1-4H3
CH$LINK: CAS
18063-20-2
CH$LINK: CHEMSPIDER
559715
CH$LINK: INCHIKEY
KHGNFPUMBJSZSM-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:644731
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-0094000000-767cbde1351f974c6bc7
PK$NUM_PEAK: 263
PK$PEAK: m/z int. rel.int.
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