MassBank Record: KZ000221



 L-Alanine; GC-EI-TOF; MS; 1 TMS; BP:116 
Mass Spectrum
Chemical Structure


ACCESSION: KZ000221
RECORD_TITLE: L-Alanine; GC-EI-TOF; MS; 1 TMS; BP:116
DATE: 2011.05.06 (Created 2009.03.11)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01546_P000044

CH$NAME: L-Alanine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C3H7NO2 CH$EXACT_MASS: 89.04768 CH$SMILES: CC(N)C(O)=O CH$IUPAC: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 CH$LINK: CAS 56-41-7 CH$LINK: KEGG C00041
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1122.0 AC$CHROMATOGRAPHY: RETENTION_TIME 425.663 sec
MS$FOCUSED_ION: BASE_PEAK 116 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 82 2 2 83 2 2 84 8 8 85 3 3 86 36 36 87 12 12 88 8 8 89 3 3 93 1 1 94 17 17 95 1 1 98 3 3 99 3 3 100 72 72 101 19 19 102 20 20 103 43 43 104 4 4 105 4 4 112 1 1 113 2 2 114 13 13 115 14 14 116 999 999 117 133 133 118 43 43 119 7 7 128 18 18 129 3 3 130 6 6 131 20 20 132 8 8 133 24 24 134 4 4 135 2 2 144 3 3 146 3 3 147 212 212 148 34 34 149 16 16 150 2 2 174 2 2 175 1 1 190 34 34 191 9 9 192 3 3 218 10 10 219 1 1 //