MassBank Record: MSBNK-Keio_Univ-KO002229
ACCESSION: MSBNK-Keio_Univ-KO002229
RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:20 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
CH$NAME: D-2-Aminobutyrate
CH$NAME: (R)-2-Aminobutanoic acid
CH$NAME: D-2-Aminobutanoic acid
CH$NAME: D-2-Aminobutyric acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H9NO2
CH$EXACT_MASS: 103.06333
CH$SMILES: CCC(N)C(O)=O
CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
CH$LINK: CAS
2623-91-8
CH$LINK: CHEBI
28797
CH$LINK: HMDB
HMDB00650
CH$LINK: KEGG
C02261
CH$LINK: LIPIDMAPS
LMFA01100043
CH$LINK: NIKKAJI
J1.815E
CH$LINK: PUBCHEM
SID:5323
CH$LINK: INCHIKEY
QWCKQJZIFLGMSD-GSVOUGTGSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 104
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9100000000-ba75c4a0743928ae4796
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
40.900 128713.0 9
45.100 49505.0 3
45.800 19802.0 1
58.100 14727737.5 999
60.200 341584.5 23
86.100 49505.0 3
87.100 272277.5 18
104.200 2158418.0 146
//
system version 2.2.6-SNAPSHOT