MassBank Record: OUF00020



 2-Aminoisobutyric acid; GC-EI-TOF; MS; n TMS; RT:343.808 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00020
RECORD_TITLE: 2-Aminoisobutyric acid; GC-EI-TOF; MS; n TMS; RT:343.808 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: 2-Aminoisobutyrate CH$NAME: 2-Aminoisobutyric acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H9NO2 CH$EXACT_MASS: 103.06333 CH$SMILES: OC(=O)C(C)(C)N CH$IUPAC: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) CH$LINK: CAS 62-57-7 CH$LINK: CHEBI 27971 CH$LINK: CHEMSPIDER 5891 CH$LINK: KEGG C03665 CH$LINK: PUBCHEM 5245672 6119 CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500 AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min) AC$CHROMATOGRAPHY: RETENTION_INDEX 1136.394 AC$CHROMATOGRAPHY: RETENTION_TIME 343.808 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-001i-0900000000-e469c31fdb361c68d7c1 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 85 5 5 86 6 6 87 7 7 88 2 2 89 2 2 94 2 2 95 3 3 96 2 2 97 2 2 98 9 9 99 4 4 100 34 34 101 27 27 102 7 7 103 21 21 104 3 3 105 3 3 109 2 2 112 2 2 113 2 2 114 85 85 115 23 23 116 16 16 117 11 11 118 3 3 119 2 2 126 6 6 127 1 1 128 3 3 129 8 8 130 999 999 131 150 150 132 56 56 133 24 24 134 3 3 135 1 1 142 39 39 143 13 13 144 9 9 145 1 1 146 6 6 147 140 140 148 23 23 149 12 12 150 1 1 160 1 1 174 1 1 175 2 2 188 3 3 189 1 1 204 51 51 205 11 11 206 5 5 232 13 13 233 3 3 234 1 1 //