ACCESSION: MSBNK-Kazusa-KZ000267
RECORD_TITLE: Spermidine; GC-EI-TOF; MS; 5 TMS; BP:144
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_04899_P000060

CH$NAME: Spermidine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₇H₁₉N₃
CH$EXACT_MASS: 145.15790
CH$SMILES: NCCCCNCCCN
CH$IUPAC: InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
CH$LINK: CAS 124-20-9
CH$LINK: KEGG C00315
CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4036645

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 1900.45 sec

MS$FOCUSED_ION: BASE_PEAK 144
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-066u-1910000000-9fe6c1c8e8f166270be1
PK$NUM_PEAK: 153
PK$PEAK: m/z int. rel.int.
  82 39 39
  83 12 12
  84 121 121
  85 26 26
  86 428 428
  87 41 41
  88 23 23
  89 2 2
  91 2 2
  93 1 1
  94 2 2
  95 1 1
  96 44 44
  97 5 5
  98 24 24
  99 50 50
  100 119 119
  101 31 31
  102 46 46
  103 2 2
  104 1 1
  110 11 11
  111 12 12
  112 13 13
  113 4 4
  114 41 41
  115 234 234
  116 895 895
  117 48 48
  118 9 9
  124 1 1
  126 11 11
  127 1 1
  129 19 19
  130 8 8
  132 8 8
  133 1 1
  140 11 11
  142 32 32
  143 8 8
  144 999 999
  145 115 115
  146 17 17
  147 7 7
  148 3 3
  154 91 91
  155 18 18
  156 564 564
  157 223 223
  158 52 52
  159 10 10
  160 235 235
  161 37 37
  162 6 6
  163 1 1
  170 34 34
  171 2 2
  173 4 4
  174 71 71
  175 37 37
  176 27 27
  177 4 4
  182 4 4
  183 42 42
  184 15 15
  185 5 5
  186 46 46
  187 11 11
  188 5 5
  189 1 1
  198 3 3
  200 80 80
  201 64 64
  202 24 24
  203 10 10
  204 2 2
  212 3 3
  213 4 4
  214 203 203
  215 53 53
  216 27 27
  217 6 6
  218 5 5
  219 1 1
  220 1 1
  221 1 1
  222 1 1
  223 1 1
  226 4 4
  227 4 4
  228 5 5
  229 10 10
  230 2 2
  231 1 1
  232 1 1
  234 1 1
  235 1 1
  236 1 1
  238 1 1
  241 3 3
  242 3 3
  243 8 8
  244 3 3
  245 3 3
  246 2 2
  247 2 2
  249 1 1
  252 1 1
  253 1 1
  255 4 4
  257 6 6
  258 2 2
  259 2 2
  260 2 2
  261 2 2
  262 1 1
  265 1 1
  268 1 1
  269 1 1
  272 1 1
  273 2 2
  275 1 1
  287 1 1
  289 1 1
  301 4 4
  302 1 1
  303 89 89
  304 28 28
  305 15 15
  306 3 3
  315 11 11
  316 4 4
  317 68 68
  318 22 22
  319 9 9
  320 2 2
  329 2 2
  330 1 1
  331 7 7
  332 1 1
  343 8 8
  344 66 66
  345 24 24
  346 10 10
  347 1 1
  389 1 1
  418 1 1
  489 4 4
  490 80 80
  491 23 23
  492 19 19
  493 3 3
  494 1 1
//