ACCESSION: MSBNK-RIKEN-PR030006
RECORD_TITLE: L-Glutamic acid; 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$NAME: L-Glutamic acid
CH$NAME: L-Glutamate
CH$NAME: L-Glutaminic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₉NO₄
CH$EXACT_MASS: 147.05316
CH$SMILES: OC(=O)CC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
CH$LINK: CAS 56-86-0
CH$LINK: CHEBI 16015
CH$LINK: CHEMPDB GLU
CH$LINK: KEGG C00025
CH$LINK: NIKKAJI J9.171E
CH$LINK: PUBCHEM 3327
CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N
CH$LINK: COMPTOX DTXSID5020659

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. 17.13 min, 2. 6.47 min
AC$CHROMATOGRAPHY: MIGRATION_TIME 15.76 min
AC$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$SPLASH: splash10-0002-0900000000-690019d0a432e6e796f0
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
148.0588 58770.2 999
//