ACCESSION: MSBNK-RIKEN_ReSpect-PT202610
RECORD_TITLE: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride, 1,2,3,6-tetrahydropyridine-4-carboxylic acid, Isoguvacine hydrochloride; 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$NAME: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride
CH$NAME: 1,2,3,6-tetrahydropyridine-4-carboxylic acid
CH$NAME: Isoguvacine hydrochloride
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Isoguvacine
CH$FORMULA: C₆H₉NO₂
CH$EXACT_MASS: 127.143
CH$SMILES: C1CNCC=C1C(=O)O
CH$IUPAC: InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
CH$LINK: CAS 64603-90-3
CH$LINK: INCHIKEY KRVDMABBKYMBHG-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 126.05553

PK$SPLASH: splash10-004i-1900000000-39c17cd59bb187aac3e9
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
97.0296 3.433 146
126.0555 23.54 999
//