MassBank Record: PB006021



 (+/-) Salsolinol; 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: PB006021
RECORD_TITLE: (+/-) Salsolinol; LC-ESI-QTOF; MS2; CE:10 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 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01q9-0900000000-2c29348adb1dba658757 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 115.053 290.581 28 116.057 30.060 2 117.069 320.641 31 118.071 30.060 2 123.042 10.020 0 127.053 40.080 3 133.061 20.040 1 134.093 10.020 0 135.044 50.100 4 135.078 50.100 4 137.058 571.142 56 138.062 40.080 3 145.063 3977.956 396 146.067 340.681 33 147.069 10.020 0 148.051 10.020 0 151.073 330.661 32 152.077 20.040 1 161.057 10.020 0 163.074 8667.335 865 164.077 701.403 69 165.078 20.040 1 179.970 10.020 0 180.100 10000.000 999 180.444 10.020 0 181.103 831.663 82 182.106 20.040 1 //