ReSpect |
ACCESSION
|
||||
![]() |
L-Tryptophane; MS2; Q-Tof; [M+H]+
2008.7.24 Copyright(C) 2009 Plant Science Center, RIKEN
Record Data
Tag | Sub Tag | Data |
---|---|---|
ACCESSION | PT100553 | |
RECORD_TITLE | L-Tryptophane; 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 | L-Tryptophane | |
CH$ NAME | L-Trp | |
CH$ NAME | L-alpha-Amino-3-indolepropionic Acid | |
CH$ NAME | 3-beta-Indolylalanine | |
CH$ NAME | (S)-2-Amino-3-(3-indolyl)propionic acid | |
CH$ NAME | (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | |
CH$ COMPOUND_CLASS | CLASS1 | Amino acid |
CH$ COMPOUND_CLASS | CLASS2 | Tryptophan |
CH$ FORMULA | C11H12N2O2 | |
CH$ EXACT_MASS | 204.23 | |
CH$ LINK | CAS | 73-22-3 |
CH$ SMILES | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N | |
CH$ IUPAC | InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/f/h14H | |
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 | 205.09767 |
PK$ NUM_PEAK | 4 | |
PK$ PEAK |
m/z int. rel.int. ![]() ![]() ![]()
146.0634
51.68
308
159.0952
25.68
153
188.0755
105.5
629
205.0977
167.4
999
|