ACCESSION: MSBNK-RIKEN-PR030018
RECORD_TITLE: L-Tryptophan; CE-ESI-TOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2007.05.08, modified 2011.05.06)
AUTHORS: Oikawa A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: L-Tryptophan
CH$NAME: (S)-alpha-Amino-beta-(3-indolyl)-propionic acid
CH$NAME: Tryptophan
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₂O₂
CH$EXACT_MASS: 204.08988
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N
CH$IUPAC: InChI=1S/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
CH$LINK: CAS 73-22-3
CH$LINK: CHEBI 16828
CH$LINK: CHEMPDB TRP
CH$LINK: KEGG C00078
CH$LINK: NIKKAJI J9.181B
CH$LINK: PUBCHEM CID:6305
CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID5021419

AC$INSTRUMENT: CE-system connected to 6210 Time-of-Flight MS, Agilent
AC$INSTRUMENT_TYPE: CE-ESI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: DRY_GAS_FLOW 7 L/min
AC$MASS_SPECTROMETRY: DRY_GAS_TEMP 300 C
AC$MASS_SPECTROMETRY: FRAGMENT_VOLTAGE 110 V
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: NEBULIZER 0/10/10 psig
AC$MASS_SPECTROMETRY: OCTPOLE_VOLTAGE 160 V
AC$MASS_SPECTROMETRY: SCANNING_CYCLE 1.5 cycle/sec
AC$MASS_SPECTROMETRY: SCANNING_RANGE m/z 50-1000
AC$MASS_SPECTROMETRY: SKIMMER_VOLTAGE 50 V
AC$CHROMATOGRAPHY: ANALYTICAL_TIME 30 min
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 4000 V
AC$CHROMATOGRAPHY: COLUMN_NAME Fused sillica capillary id=50 um L=100 cm (HMT Inc., Tsuruoka, Japan)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 20 C
AC$CHROMATOGRAPHY: FLOW_RATE 10 uL/min
AC$CHROMATOGRAPHY: INTERNAL_STANDARD 1. 200 uM Methionine sulfone, 2. 200 uM 3-Aminopyrrolidine
AC$CHROMATOGRAPHY: INTERNAL_STANDARD_MT 1. 16.54 min, 2. 6.39 min
AC$CHROMATOGRAPHY: MIGRATION_TIME 15.39 min
AC$CHROMATOGRAPHY: PRECONDITIONING 4 min
AC$CHROMATOGRAPHY: RUNNING_BUFFER 1 M Formic acid
AC$CHROMATOGRAPHY: RUNNING_VOLTAGE 30 kV
AC$CHROMATOGRAPHY: SAMPLE_INJECTION 15 sec 50 mbar
AC$CHROMATOGRAPHY: SHEATH_LIQUID Methanol-water (50% v/v) containing 0.5 uM reserpine
AC$CHROMATOGRAPHY: TIME_PROGRAM 0/0.25/1 min
AC$CHROMATOGRAPHY: WASHING_BUFFER 1 M Formic acid

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Analyst QS 1.1

PK$SPLASH: splash10-0a4i-0090000000-ce0faa81be914aa3213a
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
205.0949 113005.9 999
206.0981 13560.9 120
//