MassBank Record: MSBNK-Keio_Univ-KO000166
ACCESSION: MSBNK-Keio_Univ-KO000166
RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A110
CH$NAME: a-Aminoadipate
CH$NAME: L-alpha-Aminoadipic acid
CH$NAME: L-2-Aminoadipate
CH$NAME: L-2-Aminohexanedioate
CH$NAME: L-alpha-Aminoadipate
CH$NAME: L-2-Aminoadipic acid
CH$NAME: 2-Aminoadipic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11NO4
CH$EXACT_MASS: 161.06881
CH$SMILES: OC(=O)CCC[C@H](N)C(O)=O
CH$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)/t4-/m0/s1
CH$LINK: CAS
542-32-5
CH$LINK: CHEBI
17082
CH$LINK: KEGG
C00956
CH$LINK: NIKKAJI
J38.125J
CH$LINK: PUBCHEM
SID:4207
CH$LINK: INCHIKEY
OYIFNHCXNCRBQI-BYPYZUCNSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 160
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-0900000000-e630a31b8b0e4ff4ca96
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
95.300 14851.5 1
98.100 509901.5 7
115.900 905941.5 12
117.500 24752.5 1
128.100 24752.5 1
141.900 4188123.0 55
143.500 24752.5 1
159.900 76158492.0 999
//
system version 2.2.8-SNAPSHOT