MassBank Record: MSBNK-Kazusa-KZ000051
ACCESSION: MSBNK-Kazusa-KZ000051
RECORD_TITLE: L-Norleucine; GC-EI-TOF; MS; 2 TMS; BP:158
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_01572_P000028
CH$NAME: L-Norleucine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C6H13NO2
CH$EXACT_MASS: 131.09463
CH$SMILES: CCCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
CH$LINK: CAS
327-57-1
CH$LINK: KEGG
C01933
CH$LINK: INCHIKEY
LRQKBLKVPFOOQJ-YFKPBYRVSA-N
CH$LINK: COMPTOX
DTXSID70883362
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 1341.3
AC$CHROMATOGRAPHY: RETENTION_TIME 595.244 sec
MS$FOCUSED_ION: BASE_PEAK 158
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0a4i-0900000000-b9e660e9ed085e0a2756
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
82 7 7
83 4 4
84 20 20
85 12 12
86 45 45
87 10 10
88 4 4
89 3 3
93 1 1
94 1 1
95 1 1
96 5 5
97 3 3
98 13 13
99 4 4
100 93 93
101 18 18
102 39 39
103 26 26
104 4 4
105 5 5
106 1 1
110 2 2
111 1 1
112 5 5
113 3 3
114 42 42
115 27 27
116 8 8
117 14 14
118 4 4
119 5 5
120 1 1
126 2 2
127 1 1
128 22 22
129 10 10
130 20 20
131 19 19
132 19 19
133 35 35
134 7 7
135 3 3
142 8 8
143 3 3
144 4 4
145 1 1
146 4 4
147 112 112
148 19 19
149 11 11
150 1 1
156 6 6
157 3 3
158 999 999
159 149 149
160 47 47
161 5 5
162 1 1
163 1 1
170 12 12
171 3 3
172 2 2
174 4 4
175 1 1
176 1 1
186 3 3
187 1 1
188 1 1
202 2 2
203 2 2
216 1 1
218 21 21
219 4 4
220 1 1
232 28 28
233 8 8
234 3 3
260 6 6
261 1 1
//