ACCESSION: MSBNK-RIKEN_NPDepo-NGA03263
RECORD_TITLE: laudanosine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0a4i-0089000000-b0a6f396c088787cda59
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  188.7 1.78 1
  188.8 2.91 2
  188.9 4.19 4
  189.0 5.32 5
  189.1 5.96 5
  189.2 5.93 5
  189.3 5.19 5
  189.4 3.86 3
  189.5 2.23 2
  205.3 0.53 0
  205.4 2.44 2
  205.5 6.48 6
  205.6 13.7 13
  205.7 25.5 25
  205.8 42.23 42
  205.9 61.34 61
  206.0 77.8 77
  206.1 87.53 87
  206.2 89.49 89
  206.3 83.55 83
  206.4 68.41 68
  206.5 44.94 44
  206.6 20.03 20
  206.7 2.82 2
  326.8 2.44 2
  326.9 3.56 3
  327.0 4.7 4
  327.1 5.6 5
  327.2 6.05 6
  327.3 5.86 5
  327.4 4.86 4
  327.5 3.15 3
  357.4 1.15 1
  357.5 3.68 3
  357.6 8.3 8
  357.7 16.12 16
  357.8 28.52 28
  357.9 45.75 45
  358.0 65.67 65
  358.1 84.23 84
  358.2 97.11 97
  358.3 100.0 99
  358.4 88.84 88
  358.5 63.56 63
  358.6 32.35 32
  358.7 7.8 7
  358.8 0.0 0
//