ACCESSION: MSBNK-Kazusa-KZ000260
RECORD_TITLE: Putrescine; 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_01381_P000044

CH$NAME: Putrescine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₁₂N₂
CH$EXACT_MASS: 88.10005
CH$SMILES: NCCCCN
CH$IUPAC: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
CH$LINK: CAS 110-60-1
CH$LINK: KEGG C00134
CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041107

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 1657.3
AC$CHROMATOGRAPHY: RETENTION_TIME 740.675 sec

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

PK$SPLASH: splash10-00di-1910000000-5694141cafbe39951441
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
  82 1 1
  83 3 3
  84 11 11
  85 17 17
  86 286 286
  87 36 36
  88 16 16
  89 1 1
  96 1 1
  97 4 4
  98 14 14
  99 42 42
  100 151 151
  101 31 31
  102 24 24
  103 6 6
  104 2 2
  110 10 10
  111 2 2
  112 15 15
  113 13 13
  114 33 33
  115 17 17
  116 32 32
  117 26 26
  118 7 7
  119 2 2
  124 2 2
  125 2 2
  126 40 40
  127 7 7
  128 22 22
  129 9 9
  130 91 91
  131 41 41
  132 21 21
  133 4 4
  134 1 1
  139 2 2
  140 14 14
  141 3 3
  142 38 38
  143 8 8
  144 12 12
  145 3 3
  146 50 50
  147 9 9
  148 4 4
  156 4 4
  157 2 2
  158 11 11
  159 3 3
  160 6 6
  161 4 4
  162 1 1
  170 6 6
  171 3 3
  172 75 75
  173 19 19
  174 999 999
  175 201 201
  176 94 94
  177 12 12
  178 2 2
  182 1 1
  184 3 3
  185 1 1
  186 9 9
  187 15 15
  188 9 9
  189 3 3
  190 1 1
  197 1 1
  198 3 3
  199 6 6
  200 81 81
  201 19 19
  202 10 10
  203 2 2
  204 1 1
  213 3 3
  214 116 116
  215 28 28
  216 12 12
  217 2 2
  218 1 1
  228 1 1
  361 2 2
  362 1 1
//