MassBank Record: PR010023



 2-Hydroxyisobutyric acid; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010023
RECORD_TITLE: 2-Hydroxyisobutyric acid; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 2-Hydroxyisobutyric acid CH$COMPOUND_CLASS: Natural Product 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
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_INDEX 1053.1 AC$CHROMATOGRAPHY: RETENTION_TIME 228.892 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C10H24O3Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 248.1264 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00e9-8900000000-2d2298731d2c1ce975ff PK$NUM_PEAK: 69 PK$PEAK: m/z int. rel.int. 60 9 9 61 39 39 62 3 3 63 2 2 66 56 56 67 6 6 69 16 16 70 11 11 71 7 7 72 25 25 73 999 999 74 92 92 75 159 159 76 15 15 77 27 27 78 2 2 79 3 3 80 1 1 81 7 7 84 1 1 85 3 3 86 1 1 87 8 8 88 1 1 89 2 2 94 1 1 95 53 53 96 4 4 99 4 4 100 1 1 101 22 22 102 4 4 103 12 12 104 1 1 105 4 4 109 3 3 113 1 1 115 46 46 116 10 10 117 17 17 118 2 2 119 4 4 129 2 2 130 6 6 131 703 703 132 86 86 133 70 70 134 8 8 135 3 3 143 17 17 144 2 2 145 2 2 146 2 2 147 454 454 148 70 70 149 38 38 150 4 4 151 1 1 163 3 3 189 1 1 190 3 3 205 96 96 206 21 21 207 9 9 208 1 1 217 3 3 233 25 25 234 6 6 235 2 2 //