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MassBank Record: KO002230

D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002230
RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:30 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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 104
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-9000000000-ce841184a0d4a39e10cb
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41.200 673268.0 107
  42.100 19802.0 3
  43.000 371287.5 59
  43.800 34653.5 5
  45.000 257426.0 41
  58.300 6306937.0 999
  60.300 311881.5 49
  87.400 99010.0 16
  104.000 113861.5 18
  152.100 19802.0 3
//

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