MassBank Record: PB006042



 (+/-) Salsolinol; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB006042
RECORD_TITLE: (+/-) Salsolinol; LC-ESI-QTOF; MS2; CE:20 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 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00kb-0900000000-d89b4eb37f9694e3dbb2 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 115.053 5775.776 576 116.057 640.641 63 117.069 3333.333 332 118.071 330.330 32 119.047 80.080 7 120.057 10.010 0 123.043 230.230 22 124.049 20.020 1 126.045 50.050 4 127.053 750.751 74 128.057 70.070 6 130.040 110.110 10 131.047 20.020 1 133.062 410.410 40 134.039 100.100 9 134.058 10.010 0 134.090 50.050 4 135.046 130.130 12 135.077 480.480 47 136.047 30.030 2 136.081 40.040 3 137.058 600.601 59 138.061 30.030 2 143.048 20.020 1 144.056 40.040 3 144.954 10.010 0 145.064 10000.000 999 146.067 950.951 94 147.066 20.020 1 148.051 310.310 30 149.055 30.030 2 150.054 30.030 2 151.071 1011.011 100 152.075 100.100 9 161.058 70.070 6 162.084 10.010 0 163.074 2942.943 293 164.078 310.310 30 165.078 10.010 0 180.100 320.320 31 181.103 20.020 1 //