ACCESSION: MSBNK-RIKEN_ReSpect-PT109770
RECORD_TITLE: D-2-Aminoadipate, (R)-2-Aminohexanedioic acid, D-Homoglutamic acid, D-2-Aminoadipic acid, (2R)-2-aminohexanedioic acid, D-Ho-Glu, D-Aad, D-alpha-Aminoadipic Acid, D-2-Aminohexanedioate; 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$NAME: D-2-Aminoadipate
CH$NAME: (R)-2-Aminohexanedioic acid
CH$NAME: D-Homoglutamic acid
CH$NAME: D-2-Aminoadipic acid
CH$NAME: (2R)-2-aminohexanedioic acid
CH$NAME: D-Ho-Glu
CH$NAME: D-Aad
CH$NAME: D-alpha-Aminoadipic Acid
CH$NAME: D-2-Aminohexanedioate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Adipic acid
CH$FORMULA: C₆H₁₁NO₄
CH$EXACT_MASS: 161.157
CH$SMILES: C(CC(C(=O)O)N)CC(=O)O
CH$IUPAC: InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
CH$LINK: CAS 7620-28-2
CH$LINK: INCHIKEY OYIFNHCXNCRBQI-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 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 162.0766

PK$SPLASH: splash10-0002-9600000000-df3afc37e412e6d447da
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  70.0658 21.11 114
  98.0608 184.8 999
  116.0714 63.36 343
  144.067 56.16 304
  162.0766 28.4 154
//