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MassBank Record: MSBNK-RIKEN_ReSpect-PT202870

L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, (2S)-5-oxopyrrolidine-2-carboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT202870
RECORD_TITLE: L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, (2S)-5-oxopyrrolidine-2-carboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: L-a-Aminoglutaric Acid Lactam
CH$NAME: (S)-5-Oxo-2-pyrrolidinecarboxylic acid
CH$NAME: pyroGlu
CH$NAME: Pidolic acid
CH$NAME: L-Pyroglutamic acid
CH$NAME: L-Glutimic acid
CH$NAME: Pyroglutamate
CH$NAME: (S)-(?)-2-Pyrrolidone-5-carboxylic acid
CH$NAME: L-5-Oxo-2-pyrrolidinecarboxylic acid
CH$NAME: (2S)-5-oxopyrrolidine-2-carboxylic acid
CH$NAME: L-5-Oxoproline
CH$NAME: pGlu
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Proline
CH$FORMULA: C5H7NO3
CH$EXACT_MASS: 129.115
CH$SMILES: C1CC(=O)NC1C(=O)O
CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
CH$LINK: CAS 98-79-3
CH$LINK: INCHIKEY ODHCTXKNWHHXJC-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 128.03479

PK$SPLASH: splash10-004i-0900000000-c70c79fa828bbf137ebc
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  128.0348 267.4 999
//

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