MassBank Record: PB006043



 (+/-) Salsolinol; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB006043
RECORD_TITLE: (+/-) Salsolinol; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.03.23, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2641
COMMENT: CONFIDENCE: confident structure

CH$NAME: (+/-) Salsolinol CH$NAME: 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H13NO2 CH$EXACT_MASS: 179.09463 CH$SMILES: CC1C2=CC(=C(C=C2CCN1)O)O CH$IUPAC: InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3 CH$LINK: INCHIKEY IBRKLUSXDYATLG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:54456
AC$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 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0900000000-fd496b1ca2ec080ac77b PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 102.042 10.010 0 113.038 10.010 0 114.045 20.020 1 115.052 10000.000 999 116.058 1351.351 134 117.068 1581.582 157 118.069 180.180 17 119.053 30.030 2 119.071 10.010 0 120.054 40.040 3 122.059 30.030 2 123.042 610.611 60 124.047 80.080 7 125.038 10.010 0 126.045 310.310 30 127.053 980.981 97 128.058 140.140 13 130.040 260.260 25 131.049 70.070 6 132.043 110.110 10 133.060 270.270 26 134.040 340.340 33 135.043 40.040 3 135.077 110.110 10 136.047 150.150 14 137.056 60.060 5 143.059 20.020 1 144.056 120.120 11 145.063 1651.652 164 145.140 10.010 0 146.065 190.190 18 147.044 40.040 3 148.050 160.160 15 150.054 140.140 13 151.064 360.360 35 152.074 30.030 2 161.057 10.010 0 163.075 70.070 6 //