MassBank Record: MSBNK-RIKEN-PR010201
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
//
system version 2.2.8-SNAPSHOT