MassBank Record: MSBNK-Kazusa-KZ000234
ACCESSION: MSBNK-Kazusa-KZ000234
RECORD_TITLE: L-(+)-Lysine; GC-EI-TOF; MS; 3 TMS; BP:174
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_01569_P000156
CH$NAME: L-Lysine
CH$NAME: L-(+)-Lysine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C6H14N2O2
CH$EXACT_MASS: 146.10553
CH$SMILES: NCCCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
CH$LINK: CAS
56-87-1
CH$LINK: KEGG
C00047
CH$LINK: INCHIKEY
KDXKERNSBIXSRK-YFKPBYRVSA-N
CH$LINK: COMPTOX
DTXSID6023232
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1901.3
AC$CHROMATOGRAPHY: RETENTION_TIME 884.312 sec
MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-3910000000-98c565675de67aa87900
PK$NUM_PEAK: 128
PK$PEAK: m/z int. rel.int.
82 73 73
83 16 16
84 282 282
85 33 33
86 235 235
87 30 30
88 52 52
89 7 7
90 4 4
91 2 2
92 1 1
93 1 1
94 14 14
95 3 3
96 2 2
97 6 6
98 12 12
99 11 11
100 125 125
101 23 23
102 50 50
103 20 20
104 4 4
105 1 1
107 1 1
109 1 1
110 6 6
111 3 3
112 24 24
113 10 10
114 39 39
115 19 19
116 20 20
117 21 21
118 5 5
119 3 3
124 2 2
125 1 1
126 7 7
127 3 3
128 60 60
129 15 15
130 64 64
131 30 30
132 18 18
133 17 17
134 3 3
135 1 1
138 1 1
139 1 1
140 9 9
141 3 3
142 23 23
143 5 5
144 11 11
145 3 3
146 31 31
147 56 56
148 16 16
149 6 6
150 2 2
151 1 1
154 6 6
155 5 5
156 135 135
157 22 22
158 16 16
159 3 3
160 5 5
161 2 2
162 3 3
166 4 4
167 5 5
168 33 33
169 6 6
170 6 6
171 2 2
172 21 21
173 6 6
174 999 999
175 176 176
176 78 78
177 9 9
178 1 1
182 1 1
183 3 3
184 7 7
185 2 2
186 12 12
187 3 3
188 4 4
189 1 1
190 1 1
198 1 1
199 2 2
200 150 150
201 30 30
202 11 11
203 1 1
204 1 1
214 2 2
215 1 1
216 5 5
217 1 1
218 1 1
227 1 1
228 1 1
229 2 2
230 20 20
231 6 6
232 3 3
242 1 1
244 1 1
245 1 1
246 1 1
255 1 1
257 3 3
258 34 34
259 8 8
260 3 3
289 4 4
290 1 1
317 1 1
347 2 2
361 1 1
362 10 10
363 3 3
364 1 1
//
system version 2.2.6-SNAPSHOT