ACCESSION: MSBNK-Keio_Univ-KO001014
RECORD_TITLE: 2-Hydroxyisobutyric 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
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 20 V

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

PK$SPLASH: splash10-0pb9-9600000000-3394a5ec4ff4ff576fcd
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  45.000 306931.0 49
  57.200 6306937.0 999
  58.800 69307.0 11
  85.400 202970.5 32
  87.100 54455.5 9
  103.200 5004955.5 793
//