MassBank Record: PB005924



 Tetrahydropapaveroline; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005924
RECORD_TITLE: Tetrahydropapaveroline; LC-ESI-QTOF; MS2; CE:15 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 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03k9-0890000000-454a3dba17fb0a9a1feb PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 115.053 90.090 8 123.043 2482.482 247 124.047 110.110 10 131.047 10.010 0 133.065 30.030 2 135.043 10.010 0 137.058 240.240 23 138.062 10.010 0 143.048 1241.241 123 144.051 80.080 7 147.044 30.030 2 149.058 140.140 13 152.068 40.040 3 161.059 4744.745 473 162.062 490.490 48 163.066 10.010 0 164.069 9199.199 918 165.073 670.671 66 166.074 20.020 1 178.085 20.020 1 179.086 10.010 0 197.091 10.010 0 207.079 150.150 14 208.078 10.010 0 210.068 30.030 2 211.072 10.010 0 213.083 10.010 0 217.062 10.010 0 218.067 10.010 0 225.088 400.400 39 226.088 40.040 3 235.073 420.420 41 236.077 30.030 2 238.062 10.010 0 241.079 10.010 0 242.054 110.110 10 242.124 10.010 0 243.088 140.140 13 253.083 1201.201 119 253.179 20.020 1 254.088 130.130 12 256.070 100.100 9 257.078 10.010 0 259.093 60.060 5 269.078 30.030 2 270.105 40.040 3 271.094 10000.000 999 271.276 20.020 1 272.097 1231.231 122 272.191 10.010 0 273.104 30.030 2 288.120 6346.346 633 288.255 10.010 0 289.123 950.951 94 290.129 40.040 3 //