MassBank Record: KZ000063



 N-Formyl-L-Methionine; GC-EI-TOF; MS; 2 TMS; BP:129 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000063
RECORD_TITLE: N-Formyl-L-Methionine; GC-EI-TOF; MS; 2 TMS; BP:129
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_01620_P000158

CH$NAME: N-Formyl-L-Methionine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H11NO3S CH$EXACT_MASS: 177.04596 CH$SMILES: [H]C(=O)N[C@@H](CCSC)C(O)=O CH$IUPAC: InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 CH$LINK: CAS 4289-98-9 CH$LINK: KEGG C03145 CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80863357
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 1855.3 AC$CHROMATOGRAPHY: RETENTION_TIME 860.812 sec
MS$FOCUSED_ION: BASE_PEAK 129 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0zi1-0920000000-eff4a723ccd21264f857 PK$NUM_PEAK: 168 PK$PEAK: m/z int. rel.int. 82 9 9 83 9 9 84 145 145 85 105 105 86 45 45 87 93 93 88 30 30 89 26 26 90 7 7 91 30 30 92 3 3 94 3 3 96 3 3 97 15 15 98 117 117 99 60 60 100 841 841 101 143 143 102 383 383 103 95 95 104 39 39 105 66 66 106 7 7 107 12 12 108 2 2 109 1 1 110 5 5 111 7 7 112 18 18 113 16 16 114 154 154 115 75 75 116 46 46 117 39 39 118 57 57 119 38 38 120 6 6 121 5 5 122 1 1 124 5 5 125 1 1 126 19 19 127 6 6 128 131 131 129 999 999 130 200 200 131 107 107 132 24 24 133 134 134 134 21 21 135 18 18 136 2 2 137 1 1 139 1 1 140 9 9 141 6 6 142 318 318 143 49 49 144 82 82 145 21 21 146 8 8 147 398 398 148 74 74 149 76 76 150 10 10 151 5 5 152 1 1 154 2 2 155 3 3 156 189 189 157 965 965 158 269 269 159 98 98 160 31 31 161 30 30 162 11 11 163 24 24 164 4 4 165 2 2 168 3 3 169 1 1 170 129 129 171 19 19 172 40 40 173 9 9 174 26 26 175 39 39 176 87 87 177 19 19 178 9 9 179 2 2 184 4 4 185 3 3 186 41 41 187 7 7 188 80 80 189 25 25 190 12 12 191 28 28 192 6 6 193 3 3 194 1 1 195 1 1 196 1 1 198 2 2 200 3 3 201 3 3 202 47 47 203 20 20 204 206 206 205 36 36 206 20 20 207 4 4 208 1 1 214 2 2 215 1 1 216 15 15 217 3 3 218 46 46 219 12 12 220 5 5 221 1 1 222 1 1 223 2 2 224 1 1 230 74 74 231 22 22 232 19 19 233 5 5 234 3 3 235 1 1 242 1 1 244 2 2 245 1 1 246 4 4 247 572 572 248 132 132 249 60 60 250 62 62 251 17 17 252 9 9 253 2 2 258 2 2 259 2 2 260 331 331 261 77 77 262 33 33 263 6 6 264 1 1 274 6 6 275 2 2 276 1 1 277 1 1 278 78 78 279 25 25 280 14 14 281 3 3 282 1 1 292 1 1 305 2 2 306 144 144 307 35 35 308 21 21 309 4 4 310 1 1 321 19 19 322 5 5 323 2 2 //

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