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MassBank Record: KO009284

Tetrahydropalmatine; LC-ESI-IT; MS3; m/z: 356/192; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO009284
RECORD_TITLE: Tetrahydropalmatine; LC-ESI-IT; MS3; m/z: 356/192; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T041
COMMENT: [MS2] KO009283

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$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 1.00/0.75

MS$FOCUSED_ION: PRECURSOR_M/Z 356/192
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-004i-0900000000-9eb135c9c0ecda2ec6b6
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  108.0 1.50 4
  131.1 24.15 66
  132.1 4.49 12
  133.1 3.41 9
  144.9 0.92 3
  147.1 14.24 39
  148.1 34.39 93
  149.1 1.25 3
  150.1 33.89 92
  151.1 1.08 3
  158.9 25.05 68
  160.0 14.91 41
  161.1 8.91 24
  162.1 5.83 16
  165.1 21.32 58
  174.0 2.16 6
  175.1 34.15 93
  176.1 102.84 280
  177.1 367.49 999
  178.1 49.33 134
  193.1 99.60 271
  304.9 1.58 4
  344.5 2.25 6
//

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