MassBank Record: KZ000148



 L-Asparagine; GC-EI-TOF; MS; 3 TMS; BP:116 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000148
RECORD_TITLE: L-Asparagine; GC-EI-TOF; MS; 3 TMS; BP:116
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_05046_P000056

CH$NAME: L-Asparagine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H8N2O3 CH$EXACT_MASS: 132.05349 CH$SMILES: NC(=O)C[C@@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 CH$LINK: CAS 70-47-3 CH$LINK: KEGG C00152 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220
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 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 827.163 sec
MS$FOCUSED_ION: BASE_PEAK 116 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0159-0910000000-4979c4d028d2dc931263 PK$NUM_PEAK: 142 PK$PEAK: m/z int. rel.int. 82 5 5 83 6 6 84 57 57 85 17 17 86 39 39 87 16 16 88 8 8 89 12 12 90 18 18 91 5 5 92 3 3 93 6 6 94 1 1 95 4 4 96 3 3 97 4 4 98 52 52 99 20 20 100 276 276 101 43 43 102 37 37 103 45 45 104 6 6 105 7 7 106 1 1 107 1 1 109 1 1 110 4 4 111 6 6 112 5 5 113 14 14 114 81 81 115 103 103 116 999 999 117 144 144 118 62 62 119 13 13 120 2 2 121 1 1 123 1 1 124 1 1 125 29 29 126 9 9 127 9 9 128 51 51 129 20 20 130 91 91 131 141 141 132 374 374 133 113 113 134 32 32 135 10 10 136 1 1 139 3 3 140 10 10 141 561 561 142 97 97 143 41 41 144 32 32 145 6 6 146 19 19 147 384 384 148 74 74 149 54 54 150 7 7 151 3 3 153 6 6 154 27 27 155 4 4 156 5 5 157 3 3 158 10 10 159 74 74 160 12 12 161 5 5 162 1 1 163 4 4 164 1 1 168 1 1 169 14 14 170 5 5 171 8 8 172 21 21 173 6 6 174 15 15 175 4 4 176 4 4 177 2 2 178 1 1 183 1 1 184 2 2 185 1 1 186 2 2 187 1 1 188 157 157 189 43 43 190 32 32 191 7 7 192 2 2 197 1 1 198 1 1 199 5 5 200 3 3 201 4 4 202 75 75 203 18 18 204 21 21 205 6 6 206 5 5 207 1 1 213 41 41 214 14 14 215 41 41 216 25 25 217 12 12 218 69 69 219 16 16 220 9 9 221 2 2 225 1 1 227 1 1 228 2 2 229 6 6 230 4 4 231 262 262 232 62 62 233 29 29 234 5 5 235 1 1 241 5 5 242 4 4 243 23 23 244 9 9 245 6 6 246 1 1 258 23 23 259 8 8 260 3 3 261 1 1 262 2 2 316 4 4 317 1 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)