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MassBank Record: KO009286

Tetrahydropalmatine; LC-ESI-IT; MS3; m/z: 356/150; [M+H]+

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

ACCESSION: KO009286
RECORD_TITLE: Tetrahydropalmatine; LC-ESI-IT; MS3; m/z: 356/150; [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 1.00/0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 356/150
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0f79-0900000000-c73a4ae608c7f01e443a
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  79.1 8.17 20
  91.1 3.25 8
  93.2 2.83 7
  103.2 2.25 6
  104.1 21.25 52
  105.3 2.67 7
  106.0 3.99 10
  107.1 66.07 162
  118.0 8.41 21
  119.1 9.83 24
  120.1 52.98 130
  121.0 80.10 197
  122.1 30.31 74
  130.9 39.91 98
  131.9 12.17 30
  135.0 406.90 999
  149.1 4.33 11
  150.0 26.57 65
  151.1 216.91 533
  158.1 7.56 19
  187.3 2.92 7
  196.2 3.33 8
  390.1 0.92 2
  391.2 25.05 62
//

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