MassBank Record: MSBNK-Kazusa-KZ000160
ACCESSION: MSBNK-Kazusa-KZ000160
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_05473_P000019
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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 592.662 sec
MS$FOCUSED_ION: BASE_PEAK 158
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0a4i-0900000000-363d31fc4a3b15b97b49
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
82 3 3
83 2 2
84 9 9
85 7 7
86 17 17
87 5 5
88 2 2
89 1 1
94 1 1
96 3 3
97 2 2
98 8 8
99 3 3
100 60 60
101 12 12
102 29 29
103 20 20
104 3 3
105 3 3
110 1 1
112 3 3
113 2 2
114 27 27
115 19 19
116 6 6
117 12 12
118 3 3
119 4 4
120 1 1
126 1 1
128 17 17
129 7 7
130 16 16
131 16 16
132 15 15
133 29 29
134 6 6
135 2 2
142 6 6
143 3 3
144 2 2
146 3 3
147 100 100
148 17 17
149 9 9
150 1 1
156 7 7
157 2 2
158 999 999
159 162 162
160 55 55
161 6 6
162 1 1
163 1 1
170 15 15
171 3 3
172 2 2
174 4 4
175 1 1
176 1 1
186 4 4
187 1 1
188 1 1
202 3 3
203 2 2
204 1 1
216 2 2
218 27 27
219 6 6
220 2 2
232 40 40
233 12 12
234 4 4
260 10 10
261 2 2
//