ACCESSION: MSBNK-Kazusa-KZ000016
RECORD_TITLE: Cadaverine; GC-EI-TOF; MS; 4 TMS; BP:174
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_01442_P000117

CH$NAME: Cadaverine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₁₄N₂
CH$EXACT_MASS: 102.11570
CH$SMILES: NCCCCCN
CH$IUPAC: InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
CH$LINK: CAS 462-94-2
CH$LINK: KEGG C01672
CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5075448

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 1754.1
AC$CHROMATOGRAPHY: RETENTION_TIME 815.628 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-2900000000-c1c59035a5dd2cf2397a
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  82 2 2
  83 3 3
  84 13 13
  85 20 20
  86 331 331
  87 36 36
  88 36 36
  89 3 3
  90 1 1
  95 1 1
  96 1 1
  97 4 4
  98 14 14
  99 16 16
  100 157 157
  101 29 29
  102 33 33
  103 7 7
  104 2 2
  106 1 1
  110 2 2
  111 1 1
  112 41 41
  113 16 16
  114 22 22
  115 15 15
  116 25 25
  117 24 24
  118 6 6
  119 1 1
  124 3 3
  125 1 1
  126 10 10
  127 2 2
  128 13 13
  129 7 7
  130 91 91
  131 41 41
  132 19 19
  133 4 4
  134 1 1
  138 3 3
  139 1 1
  140 17 17
  141 3 3
  142 11 11
  143 5 5
  144 7 7
  145 2 2
  146 24 24
  147 4 4
  148 2 2
  154 11 11
  155 3 3
  156 10 10
  157 2 2
  158 31 31
  159 6 6
  160 19 19
  161 3 3
  162 1 1
  170 4 4
  171 1 1
  172 27 27
  173 6 6
  174 999 999
  175 193 193
  176 84 84
  177 10 10
  178 2 2
  180 2 2
  184 3 3
  185 1 1
  186 39 39
  187 8 8
  188 8 8
  189 1 1
  190 1 1
  198 3 3
  199 1 1
  200 15 15
  201 4 4
  202 3 3
  212 3 3
  213 3 3
  214 6 6
  215 1 1
  216 7 7
  217 1 1
  218 1 1
  227 4 4
  228 3 3
  229 14 14
  230 4 4
  231 1 1
  374 3 3
  375 22 22
  376 9 9
  377 4 4
  378 1 1
  390 1 1
//