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
//