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MassBank Record: KO009285

Tetrahydropalmatine; LC-ESI-IT; MS3; m/z: 356/165; [M+H]+

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

ACCESSION: KO009285
RECORD_TITLE: Tetrahydropalmatine; LC-ESI-IT; MS3; m/z: 356/165; [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 1.00/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 356/165
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0udi-0900000000-dba1f16ab3086eaf2b00
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  55.2 3.58 2
  73.2 8.58 4
  79.1 29.00 12
  88.2 6.75 3
  91.2 3.67 2
  92.0 11.84 5
  93.0 11.50 5
  95.1 6.17 3
  98.5 6.75 3
  103.1 17.16 7
  104.1 10.17 4
  105.1 200.35 84
  106.0 7.09 3
  107.1 15.75 7
  108.1 2.58 1
  109.1 7.50 3
  114.1 1.33 1
  115.0 4.00 2
  117.1 3.17 1
  118.1 5.25 2
  119.0 4.92 2
  120.1 19.91 8
  121.0 15.00 6
  122.0 8.42 4
  122.9 15.08 6
  124.1 6.42 3
  130.9 0.92 1
  132.1 1.08 1
  133.1 248.66 105
  134.1 102.42 43
  135.0 260.66 110
  136.2 39.49 17
  137.1 78.08 33
  138.1 23.33 10
  149.1 28.67 12
  150.1 2368.82 999
  151.1 209.93 89
  153.1 10.09 4
  166.1 677.58 286
  187.1 1.50 1
  279.2 4.00 2
  337.6 2.42 1
  347.3 2.42 1
  351.1 13.00 5
  353.3 3.08 1
  390.0 12.67 5
  391.2 61.16 26
  392.4 1.67 1
//

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