ACCESSION: MSBNK-Kazusa-KZ000063
RECORD_TITLE: N-Formyl-L-Methionine; GC-EI-TOF; MS; 2 TMS; BP:129
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//