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ACCESSION
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Serotonin hydrochloride; MS2; Q-Tof; [M+H]+
2008.7.24 Copyright(C) 2009 Plant Science Center, RIKEN
Record Data
| Tag | Sub Tag | Data |
|---|---|---|
| ACCESSION | PT100343 | |
| RECORD_TITLE | Serotonin hydrochloride; MS2; Q-Tof; [M+H]+ | |
| DATE | 2008.7.24 | |
| AUTHORS | Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN. | |
| COPYRIGHT | Copyright(C) 2009 Plant Science Center, RIKEN | |
| COMMENTS | Build 1 2009/06/24 | |
| COMMENTS | Acquisition and generation of the data is financially supported in part by CREST/JST. | |
| STRUCTURE_FILE_NAME | N/A | |
| CH$ NAME | Serotonin hydrochloride | |
| CH$ NAME | 5-HT | |
| CH$ NAME | 5-Hydoxytryptamine hydrochloride | |
| CH$ NAME | 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride | |
| CH$ NAME | Enteramine | |
| CH$ NAME | 3-(2-aminoethyl)-1H-indol-5-ol | |
| CH$ COMPOUND_CLASS | CLASS1 | Alkaloid |
| CH$ COMPOUND_CLASS | CLASS2 | Indole |
| CH$ COMPOUND_CLASS | CLASS3 | Tryptamine |
| CH$ FORMULA | C10H12N2O | |
| CH$ EXACT_MASS | 176.22 | |
| CH$ LINK | CAS | 50-67-9 |
| CH$ SMILES | C1=CC2=C(C=C1O)C(=CN2)CCN | |
| CH$ IUPAC | InChI=1/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | |
| AC$ INSTRUMENT | Q-Tof Premier, Waters | |
| AC$ INSTRUMENT_TYPE | N/A | |
| AC$ ANALYTICAL_CONDITION | MS_TYPE | LC-Q-TOF/MS |
| AC$ ANALYTICAL_CONDITION | IONIZATION | ESI |
| AC$ ANALYTICAL_CONDITION | SOURCE_TEMPERATURE | 120 C |
| AC$ ANALYTICAL_CONDITION | PRECURSOR_SELECTION | Q |
| AC$ ANALYTICAL_CONDITION | FRAGMENTATION_EQUIPMENT | Q |
| AC$ ANALYTICAL_CONDITION | FRAGMENTATION_METHOD | LOW-ENERGY CID |
| AC$ ANALYTICAL_CONDITION | COLLISION_ENERGY | 30 V |
| AC$ ANALYTICAL_CONDITION | SPECTRUM_TYPE | TOF |
| AC$ ANALYTICAL_CONDITION | DATAFORMAT | Continuum |
| AC$ ANALYTICAL_CONDITION | SOLVENT | CH3CN/H2O |
| AC$ ANALYTICAL_CONDITION | MODE | POSITIVE |
| AC$ ANALYTICAL_CONDITION | CAPILLARY_VOLTAGE | 3.0 kV |
| AC$ ANALYTICAL_CONDITION | SAMPLING_CONE | 23.0 V |
| MS$ FOCUSED_ION | ION_TYPE | [M+H]+ |
| MS$ FOCUSED_ION | PRECURSOR_M/Z | 177.10276 |
| PK$ NUM_PEAK | 6 | |
| PK$ PEAK |
m/z int. rel.int. ![[-]](/menta.cgi/static/respect/images/iconMinus.gif){kind=small} m/z
Intensity
Relative intensity
160.0746
41.85
999
176.95
2.721
64
176.9854
3.239
77
177.0211
2.832
67
177.0652
4.27
101
177.0965
26.79
639
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