ACCESSION: MSBNK-Osaka_Univ-OUF00435
RECORD_TITLE: Pyridoxamine; GC-EI-TOF; MS; n TMS; RT:809.217 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$NAME: Pyridoxamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₈H₁₂N₂O₂
CH$EXACT_MASS: 168.08988
CH$SMILES: OCc(c1)c(CN)c(O)c(C)n1
CH$IUPAC: InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
CH$LINK: CAS 85-87-0
CH$LINK: CHEBI 16410
CH$LINK: CHEMSPIDER 1023
CH$LINK: KEGG C00534
CH$LINK: PUBCHEM CID:1052
CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6046929

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$CHROMATOGRAPHY: RETENTION_INDEX 2098.736
AC$CHROMATOGRAPHY: RETENTION_TIME 809.217 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-001j-0590000000-a4bf9fe291241c903e3d
PK$NUM_PEAK: 214
PK$PEAK: m/z int. rel.int.
  85 14 14
  86 42 42
  87 13 13
  88 6 6
  89 8 8
  90 3 3
  91 13 13
  92 7 7
  93 8 8
  94 5 5
  95 9 9
  96 4 4
  97 12 12
  98 6 6
  99 8 8
  100 52 52
  101 12 12
  102 14 14
  103 19 19
  104 12 12
  105 13 13
  106 15 15
  107 8 8
  108 4 4
  109 9 9
  110 5 5
  111 6 6
  112 2 2
  113 14 14
  114 11 11
  115 12 12
  116 15 15
  117 24 24
  118 14 14
  119 17 17
  120 15 15
  121 9 9
  122 6 6
  123 7 7
  124 6 6
  125 4 4
  126 2 2
  127 2 2
  128 2 2
  129 4 4
  130 125 125
  131 80 80
  132 34 34
  133 94 94
  134 21 21
  135 14 14
  136 13 13
  137 7 7
  138 5 5
  139 2 2
  140 2 2
  141 2 2
  142 2 2
  143 5 5
  144 5 5
  145 6 6
  146 136 136
  147 281 281
  148 63 63
  149 36 36
  150 14 14
  151 8 8
  152 5 5
  153 2 2
  154 1 1
  155 2 2
  156 2 2
  157 3 3
  158 4 4
  159 3 3
  160 7 7
  161 8 8
  162 17 17
  163 9 9
  164 28 28
  165 11 11
  166 9 9
  167 4 4
  168 2 2
  169 2 2
  170 1 1
  171 2 2
  172 4 4
  173 2 2
  174 14 14
  175 7 7
  176 14 14
  177 9 9
  178 32 32
  179 27 27
  180 27 27
  181 8 8
  182 4 4
  183 2 2
  184 1 1
  185 1 1
  186 2 2
  187 3 3
  188 7 7
  189 10 10
  190 13 13
  191 11 11
  192 43 43
  193 18 18
  194 23 23
  195 8 8
  196 10 10
  197 2 2
  198 1 1
  201 1 1
  202 3 3
  203 6 6
  204 13 13
  205 30 30
  206 40 40
  207 33 33
  208 21 21
  209 6 6
  210 3 3
  211 1 1
  212 1 1
  216 1 1
  217 2 2
  218 4 4
  219 7 7
  220 15 15
  221 48 48
  222 27 27
  223 9 9
  224 5 5
  225 1 1
  232 1 1
  233 2 2
  234 4 4
  235 4 4
  236 9 9
  237 5 5
  238 6 6
  239 2 2
  240 1 1
  246 1 1
  247 2 2
  248 3 3
  249 6 6
  250 18 18
  251 12 12
  252 28 28
  253 12 12
  254 6 6
  255 2 2
  261 1 1
  262 2 2
  263 7 7
  264 13 13
  265 14 14
  266 11 11
  267 6 6
  268 5 5
  269 1 1
  277 9 9
  278 10 10
  279 34 34
  280 999 999
  281 378 378
  282 135 135
  283 31 31
  284 8 8
  285 3 3
  286 4 4
  287 4 4
  288 4 4
  289 4 4
  290 4 4
  291 5 5
  292 5 5
  293 47 47
  294 28 28
  295 419 419
  296 134 134
  297 51 51
  298 11 11
  299 2 2
  308 1 1
  310 1 1
  323 4 4
  324 2 2
  325 1 1
  337 3 3
  338 5 5
  339 2 2
  340 1 1
  351 5 5
  352 3 3
  353 8 8
  354 4 4
  355 1 1
  365 1 1
  366 1 1
  367 7 7
  368 5 5
  369 3 3
  370 1 1
  381 1 1
  440 6 6
  441 31 31
  442 21 21
  443 10 10
  444 4 4
  445 1 1
//