ACCESSION: MSBNK-Keio_Univ-KO004162
RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T041

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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 356
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-0009000000-7836bc8329bed2c1b604
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  111.800 9901.0 1
  122.400 34653.5 1
  130.200 202970.5 1
  130.900 19802.0 1
  140.100 39604.0 1
  147.900 29703.0 1
  150.000 39604.0 1
  158.500 9901.0 1
  165.100 123762.5 1
  166.300 74257.5 1
  190.400 29703.0 1
  191.500 74257.5 1
  192.300 1257427.0 1
  226.200 74257.5 1
  227.300 44554.5 1
  227.600 34653.5 1
  228.400 29703.0 1
  236.500 19802.0 1
  243.400 306931.0 1
  249.600 118812.0 1
  250.300 138614.0 1
  260.100 173267.5 1
  265.100 34653.5 1
  281.800 19802.0 1
  294.300 39604.0 1
  308.200 39604.0 1
  318.000 44554.5 1
  320.800 14851.5 1
  322.900 24752.5 1
  325.100 39604.0 1
  339.100 232673.5 1
  339.700 202970.5 1
  340.700 44554.5 1
  356.600 954129667.0 999
  526.800 19802.0 1
  573.100 44554.5 1
  634.400 19802.0 1
//