ACCESSION: MSBNK-Kazusa-KZ000112
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_05426_P000045

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 818.563 sec

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

PK$SPLASH: splash10-00di-1900000000-c7101e746f630b0d4f42
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  84 2 2
  85 7 7
  86 188 188
  87 6 6
  88 28 28
  97 1 1
  98 2 2
  99 6 6
  100 100 100
  101 5 5
  102 16 16
  112 40 40
  113 4 4
  114 12 12
  115 5 5
  116 5 5
  117 4 4
  118 1 1
  124 2 2
  126 9 9
  127 1 1
  128 8 8
  129 2 2
  130 52 52
  131 18 18
  132 12 12
  138 3 3
  139 1 1
  140 17 17
  141 2 2
  142 4 4
  143 3 3
  144 4 4
  145 2 2
  146 22 22
  147 3 3
  154 10 10
  155 2 2
  156 9 9
  157 1 1
  158 19 19
  159 2 2
  160 25 25
  161 3 3
  162 1 1
  170 2 2
  171 1 1
  172 18 18
  173 3 3
  174 999 999
  175 112 112
  176 47 47
  177 4 4
  180 3 3
  184 4 4
  185 1 1
  186 35 35
  187 7 7
  188 8 8
  189 2 2
  198 5 5
  199 1 1
  200 29 29
  201 6 6
  202 4 4
  204 1 1
  212 6 6
  213 5 5
  214 11 11
  215 1 1
  216 11 11
  217 1 1
  218 1 1
  227 2 2
  228 6 6
  229 28 28
  230 7 7
  231 2 2
  244 1 1
  374 4 4
  375 28 28
  376 8 8
  377 2 2
  378 1 1
  379 2 2
  391 1 1
//