ACCESSION: MSBNK-RIKEN_NPDepo-NGA03264
RECORD_TITLE: laudanosine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-0019000000-c010d08cc1d28dc4f2c6
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  205.5 1.34 1
  205.6 2.89 2
  205.7 5.46 5
  205.8 9.12 9
  205.9 13.32 13
  206.0 17.03 17
  206.1 19.29 19
  206.2 19.78 19
  206.3 18.47 18
  206.4 15.15 15
  206.5 9.97 9
  206.6 4.4 4
  206.7 0.53 0
  357.4 1.14 1
  357.5 3.41 3
  357.6 7.95 7
  357.7 15.78 15
  357.8 28.28 28
  357.9 46.19 46
  358.0 67.53 67
  358.1 86.99 86
  358.2 98.9 98
  358.3 100.0 99
  358.4 88.92 88
  358.5 66.08 66
  358.6 36.85 36
  358.7 11.58 11
  358.8 0.0 0
//