ACCESSION: MSBNK-RIKEN_ReSpect-PT206380
RECORD_TITLE: L-Aad, L-Homoglutamic acid, L-2-Aminoadipic Acid , L-2-Aminohexanedioate, (2S)-2-aminohexanedioic acid, L-alpha-Aminoadipic Acid, L-Ho-Glu, (S)-2-Aminohexanedioic acid, L-2-Aminoadipate; 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$NAME: L-Aad
CH$NAME: L-Homoglutamic acid
CH$NAME: L-2-Aminoadipic Acid
CH$NAME: L-2-Aminohexanedioate
CH$NAME: (2S)-2-aminohexanedioic acid
CH$NAME: L-alpha-Aminoadipic Acid
CH$NAME: L-Ho-Glu
CH$NAME: (S)-2-Aminohexanedioic acid
CH$NAME: L-2-Aminoadipate
CH$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$LINK: CAS 1118-90-7
CH$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 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 160.061

PK$SPLASH: splash10-03di-0900000000-bc25c203e83b737675b0
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  98.0598 19.63 222
  116.0714 72.62 820
  142.0505 59.2 668
  160.061 88.47 999
  160.8423 69.17 781
//