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MassBank Record: KO001016

2-Hydroxyisobutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO001016
RECORD_TITLE: 2-Hydroxyisobutyric acid; LC-ESI-QQ; MS2; CE:40 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 H026

CH$NAME: 2-Hydroxyisobutyrate
CH$NAME: 2-hydroxy-2-methyl-propanoic acid
CH$NAME: 2-Hydroxyisobutyric acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O3
CH$EXACT_MASS: 104.04734
CH$SMILES: OC(=O)C(C)(C)O
CH$IUPAC: InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
CH$LINK: CAS 594-61-6
CH$LINK: NIKKAJI J2.707C
CH$LINK: PUBCHEM SID:11076048
CH$LINK: INCHIKEY BWLBGMIXKSTLSX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4032954

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 103
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-052f-9000000000-3de5183bd97ccc5072c8
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  41.200 198020.0 999
  57.000 193069.5 974
//

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