MassBank Record: PB005881



 Laudanosine; 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: PB005881
RECORD_TITLE: Laudanosine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.20, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2441
COMMENT: CONFIDENCE: confident structure

CH$NAME: Laudanosine CH$NAME: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C21H27NO4 CH$EXACT_MASS: 357.19401 CH$SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC CH$IUPAC: InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3 CH$LINK: INCHIKEY KGPAYJZAMGEDIQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:15548
AC$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$SPLASH: splash10-0a4i-0079000000-7c4d9c2e5dbc7053b062 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 151.074 270.270 26 152.076 10.010 0 158.072 10.010 0 165.089 120.120 11 166.092 10.010 0 174.067 40.040 3 177.087 10.010 0 188.103 10.010 0 189.089 630.631 62 190.090 90.090 8 191.096 30.030 2 192.100 10.010 0 203.104 10.010 0 205.979 10.010 0 206.115 10000.000 999 207.118 950.951 94 208.122 10.010 0 220.131 10.010 0 255.133 30.030 2 264.111 20.020 1 268.106 10.010 0 281.113 10.010 0 283.128 50.050 4 284.135 20.020 1 295.128 80.080 7 296.137 210.210 20 297.140 50.050 4 298.128 10.010 0 299.122 10.010 0 300.134 20.020 1 301.140 10.010 0 312.132 70.070 6 313.133 10.010 0 315.154 380.380 37 316.159 50.050 4 326.170 20.020 1 327.155 2262.262 225 328.159 380.380 37 329.170 100.100 9 330.175 10.010 0 341.171 20.020 1 343.173 10.010 0 358.197 9049.049 903 359.200 1551.552 154 360.203 40.040 3 //