MassBank Record: PB006041



 (+/-) Salsolinol; 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: PB006041
RECORD_TITLE: (+/-) Salsolinol; LC-ESI-QTOF; MS2; CE:15 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 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01ot-0900000000-a28325af4d693ae8c614 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 115.052 1701.702 169 116.057 170.170 16 117.068 1571.572 156 118.072 150.150 14 119.049 20.020 1 123.043 60.060 5 126.044 10.010 0 127.052 240.240 23 128.056 20.020 1 130.040 10.010 0 133.062 130.130 12 134.045 10.010 0 134.064 10.010 0 134.092 20.020 1 135.045 180.180 17 135.077 250.250 24 136.079 10.010 0 137.058 880.881 87 138.062 50.050 4 144.056 10.010 0 144.973 10.010 0 145.063 10000.000 999 146.066 880.881 87 147.068 20.020 1 148.049 90.090 8 151.073 860.861 85 152.076 70.070 6 161.058 40.040 3 162.089 30.030 2 163.073 7267.267 725 164.077 640.641 63 165.080 10.010 0 180.100 2112.112 210 181.103 180.180 17 //