MassBank Record: MSBNK-Osaka_Univ-OUF00072
ACCESSION: MSBNK-Osaka_Univ-OUF00072
RECORD_TITLE: 5-Aminopentanoic acid; GC-EI-TOF; MS; n TMS; RT:612.492 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
CH$NAME: 5-Aminovaleric acid
CH$NAME: 5-Aminopentanoic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C5H11NO2
CH$EXACT_MASS: 117.07898
CH$SMILES: NCCCCC(O)=O
CH$IUPAC: InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
CH$LINK: CAS
660-88-8
CH$LINK: CHEBI
15887 356010
CH$LINK: CHEMSPIDER
135
CH$LINK: KEGG
C00431
CH$LINK: PUBCHEM
CID:138
CH$LINK: INCHIKEY
JJMDCOVWQOJGCB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70216212
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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1623.937
AC$CHROMATOGRAPHY: RETENTION_TIME 612.492 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-00di-1900000000-37b43ab4ca79d55eaf25
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
85 19 19
86 222 222
87 29 29
88 16 16
89 5 5
96 2 2
97 4 4
98 8 8
99 20 20
100 137 137
101 32 32
102 27 27
103 10 10
104 2 2
105 2 2
110 1 1
111 1 1
112 24 24
113 13 13
114 14 14
115 15 15
116 58 58
117 29 29
118 7 7
119 7 7
120 1 1
126 5 5
127 2 2
128 17 17
129 98 98
130 78 78
131 65 65
132 20 20
133 42 42
134 7 7
135 3 3
138 1 1
140 1 1
141 1 1
142 5 5
143 5 5
144 6 6
145 3 3
146 24 24
147 175 175
148 30 30
149 20 20
150 2 2
151 1 1
152 7 7
153 1 1
154 25 25
155 4 4
156 23 23
157 5 5
158 16 16
159 6 6
160 5 5
161 3 3
162 3 3
170 11 11
171 2 2
172 20 20
173 6 6
174 999 999
175 193 193
176 87 87
177 11 11
178 2 2
184 1 1
186 8 8
187 2 2
188 3 3
189 1 1
200 53 53
201 13 13
202 8 8
203 4 4
204 3 3
205 1 1
217 2 2
221 4 4
222 1 1
228 17 17
229 5 5
230 8 8
231 2 2
244 13 13
245 4 4
246 2 2
260 5 5
261 2 2
318 33 33
319 22 22
320 9 9
321 2 2
333 3 3
334 2 2
//