ACCESSION: MSBNK-RIKEN-PR010201
RECORD_TITLE: N-Formyl-L-Methionine; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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$LINK: NIKKAJI J208.507K
CH$LINK: PUBCHEM 6033
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$CHROMATOGRAPHY: RETENTION_INDEX 1686.7
AC$CHROMATOGRAPHY: RETENTION_TIME 449.121 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C12H27NO3SSi2
MS$FOCUSED_ION: DERIVATIVE_MASS 321.12502
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9410000000-0d6268555c7a6ebf60ef
PK$NUM_PEAK: 133
PK$PEAK: m/z int. rel.int.
  60 20 20
  61 507 507
  62 23 23
  63 25 25
  64 1 1
  65 1 1
  66 7 7
  67 5 5
  68 3 3
  69 2 2
  70 16 16
  71 13 13
  72 33 33
  73 999 999
  74 131 131
  75 267 267
  76 27 27
  77 51 51
  78 6 6
  79 24 24
  80 2 2
  82 3 3
  83 3 3
  84 43 43
  85 30 30
  86 12 12
  87 23 23
  88 7 7
  89 5 5
  90 1 1
  91 7 7
  92 2 2
  93 2 2
  94 1 1
  97 3 3
  98 24 24
  99 11 11
  100 152 152
  101 24 24
  102 68 68
  103 18 18
  104 7 7
  105 12 12
  106 1 1
  107 2 2
  110 1 1
  111 1 1
  112 3 3
  113 3 3
  114 30 30
  115 14 14
  116 9 9
  117 9 9
  118 10 10
  119 7 7
  120 1 1
  121 1 1
  124 1 1
  126 3 3
  127 1 1
  128 25 25
  129 187 187
  130 35 35
  131 21 21
  132 5 5
  133 26 26
  134 4 4
  135 3 3
  140 2 2
  141 1 1
  142 66 66
  143 9 9
  144 16 16
  145 3 3
  146 1 1
  147 87 87
  148 14 14
  149 16 16
  150 2 2
  151 1 1
  156 33 33
  157 175 175
  158 45 45
  159 18 18
  160 6 6
  161 5 5
  162 2 2
  163 4 4
  170 21 21
  171 3 3
  172 7 7
  173 1 1
  174 4 4
  175 5 5
  176 15 15
  177 3 3
  178 1 1
  186 5 5
  187 1 1
  188 11 11
  189 3 3
  190 1 1
  191 4 4
  192 1 1
  202 7 7
  203 3 3
  204 28 28
  205 5 5
  206 3 3
  216 2 2
  218 7 7
  219 1 1
  230 14 14
  231 4 4
  232 4 4
  233 1 1
  246 1 1
  247 100 100
  248 21 21
  249 10 10
  250 11 11
  251 2 2
  252 1 1
  260 50 50
  261 11 11
  262 5 5
  278 11 11
  279 3 3
  280 2 2
  306 17 17
  307 4 4
  308 2 2
  321 3 3
//