MassBank Record: PB005923



 Tetrahydropapaveroline; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005923
RECORD_TITLE: Tetrahydropapaveroline; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.03.05, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2522
COMMENT: CONFIDENCE: confident structure

CH$NAME: Tetrahydropapaveroline CH$NAME: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C16H17NO4 CH$EXACT_MASS: 287.11576 CH$SMILES: C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O CH$IUPAC: InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2 CH$LINK: INCHIKEY ABXZOXDTHTTZJW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:18519
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0190000000-ebe0bcf51deee4d03416 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 123.042 140.140 13 137.058 10.010 0 143.048 60.060 5 149.059 10.010 0 161.058 340.340 33 162.063 30.030 2 164.069 1731.732 172 165.072 130.130 12 225.088 20.020 1 235.072 20.020 1 243.097 10.010 0 253.083 100.100 9 254.087 10.010 0 271.093 2782.783 277 272.096 350.350 34 273.097 10.010 0 287.098 10.010 0 287.909 10.010 0 288.119 10000.000 999 288.537 10.010 0 289.123 1321.321 131 290.125 40.040 3 //