ACCESSION: MSBNK-Keio_Univ-KO004165
RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T041

CH$NAME: Tetrahydropalmatine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₅NO₄
CH$EXACT_MASS: 355.17836
CH$SMILES: COc(c4)c(OC)cc(c34)C(C1)N(CC3)Cc(c(OC)2)c(ccc(OC)2)1
CH$IUPAC: InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3
CH$LINK: CAS 10097-84-4
CH$LINK: CHEBI 16563
CH$LINK: KEGG C02890
CH$LINK: NIKKAJI J31.846I
CH$LINK: PUBCHEM SID:5820
CH$LINK: INCHIKEY AEQDJSLRWYMAQI-UHFFFAOYSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 356
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0900000000-86761aeb10769f73e5b7
PK$NUM_PEAK: 141
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//