ACCESSION: MSBNK-RIKEN_NPDepo-CB000115
RECORD_TITLE: laudanosine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C21H27NO4
COMMENT: Bottle Name:Laudanosine
COMMENT: PRIME Parent Name:Laudanosine
COMMENT: PRIME in-house No.:V0357
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids
CH$NAME: Laudanoside
CH$NAME: N-Methyltetrahydropapaverine
CH$NAME: 6,7-Dimethoxy-2-methyl-1-veratryl-1,2,3,4-tetrahydroisoquinoline
CH$NAME: 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
CH$NAME: laudanosine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C21H27NO4
CH$EXACT_MASS: 357.4536
CH$SMILES: COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC
CH$IUPAC: InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3
CH$LINK: CAS
2688-77-9
CH$LINK: CHEMSPIDER
66114
CH$LINK: INCHIKEY
KGPAYJZAMGEDIQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:15548
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: splash10-0a4i-0369000000-85d33424b849ef8cb584
PK$NUM_PEAK: 198
PK$PEAK: m/z int. rel.int.
150.4000 797790.1875 67
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