ACCESSION: MSBNK-RIKEN_ReSpect-PT103023
RECORD_TITLE: N,N-Dimethylaminoacetic acid, N,N-Dimethylglycine, N-Methylsarcosine, 2-dimethylaminoacetic acid, Dmg; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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$NAME: N,N-Dimethylaminoacetic acid
CH$NAME: N,N-Dimethylglycine
CH$NAME: N-Methylsarcosine
CH$NAME: 2-dimethylaminoacetic acid
CH$NAME: Dmg
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Glycine
CH$FORMULA: C₄H₉NO₂
CH$EXACT_MASS: 103.121
CH$SMILES: CN(C)CC(=O)O
CH$IUPAC: InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
CH$LINK: CAS 1118-68-9
CH$LINK: INCHIKEY FFDGPVCHZBVARC-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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 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 104.07113

PK$SPLASH: splash10-0a4i-9100000000-635be273cdf7a4cdfe53
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
58.0677 26.86 999
104.0711 3.864 144
//