MassBank Record: MSBNK-Kazusa-KZ000063
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
//