ACCESSION: MSBNK-Osaka_Univ-OUF00463
RECORD_TITLE: Spermine; GC-EI-TOF; MS; n TMS; RT:1016.767 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$NAME: Spermine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₂₆N₄
CH$EXACT_MASS: 202.21575
CH$SMILES: NCCCNCCCCNCCCN
CH$IUPAC: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
CH$LINK: CAS 71-44-3
CH$LINK: CHEBI 15746
CH$LINK: CHEMSPIDER 1072
CH$LINK: KEGG C00750
CH$LINK: PUBCHEM CID:1103
CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9058781

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$CHROMATOGRAPHY: RETENTION_INDEX 2739.555
AC$CHROMATOGRAPHY: RETENTION_TIME 1016.767 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-00r6-1900000000-861e0541e2eb67219b93
PK$NUM_PEAK: 147
PK$PEAK: m/z int. rel.int.
  85 23 23
  86 512 512
  87 56 56
  88 34 34
  89 4 4
  90 1 1
  92 1 1
  93 1 1
  94 5 5
  95 1 1
  96 13 13
  97 5 5
  98 25 25
  99 14 14
  100 241 241
  101 49 49
  102 113 113
  103 15 15
  104 6 6
  108 2 2
  109 4 4
  110 17 17
  111 6 6
  112 31 31
  113 13 13
  114 68 68
  115 61 61
  116 999 999
  117 129 129
  118 44 44
  119 4 4
  120 1 1
  122 1 1
  123 1 1
  124 3 3
  125 2 2
  126 14 14
  127 7 7
  128 69 69
  129 136 136
  130 173 173
  131 37 37
  132 15 15
  133 3 3
  134 1 1
  135 1 1
  136 1 1
  138 1 1
  139 2 2
  140 27 27
  141 12 12
  142 229 229
  143 43 43
  144 863 863
  145 118 118
  146 95 95
  147 14 14
  148 6 6
  149 1 1
  152 3 3
  153 1 1
  154 32 32
  155 12 12
  156 260 260
  157 54 54
  158 33 33
  159 7 7
  160 281 281
  161 51 51
  162 23 23
  163 3 3
  164 1 1
  166 1 1
  167 1 1
  168 14 14
  169 6 6
  170 80 80
  171 17 17
  172 160 160
  173 45 45
  174 482 482
  175 91 91
  176 41 41
  177 5 5
  180 1 1
  182 10 10
  183 13 13
  184 12 12
  185 7 7
  186 40 40
  187 12 12
  188 13 13
  189 3 3
  190 1 1
  197 1 1
  198 2 2
  199 2 2
  200 6 6
  201 85 85
  202 21 21
  203 9 9
  204 2 2
  211 1 1
  212 1 1
  213 1 1
  214 1 1
  215 4 4
  216 1 1
  224 1 1
  227 1 1
  228 1 1
  229 3 3
  230 1 1
  237 2 2
  239 1 1
  241 1 1
  242 2 2
  243 4 4
  244 2 2
  245 2 2
  255 2 2
  256 1 1
  257 2 2
  258 1 1
  259 9 9
  260 2 2
  261 1 1
  269 2 2
  271 3 3
  272 1 1
  273 2 2
  274 1 1
  299 13 13
  300 4 4
  301 2 2
  303 11 11
  304 4 4
  305 2 2
  329 33 33
  330 14 14
  331 7 7
  332 2 2
  343 1 1
  344 1 1
  345 6 6
  346 3 3
  347 1 1
//