ACCESSION: MSBNK-Kazusa-KZ000250
RECORD_TITLE: N-Acetylputrescine; GC-EI-TOF; MS; 2 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_01618_P000065

CH$NAME: N-Acetylputrescine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₄N₂O
CH$EXACT_MASS: 130.11061
CH$SMILES: NCCCCNC(C)=O
CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
CH$LINK: CAS 18233-70-0
CH$LINK: KEGG C02714
CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80205596

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 1736.9
AC$CHROMATOGRAPHY: RETENTION_TIME 809.062 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-2900000000-5ce6ea5fec8a535152b1
PK$NUM_PEAK: 137
PK$PEAK: m/z int. rel.int.
  82 26 26
  83 14 14
  84 494 494
  85 60 60
  86 488 488
  87 59 59
  88 28 28
  89 6 6
  90 2 2
  92 2 2
  93 1 1
  94 5 5
  95 3 3
  96 24 24
  97 10 10
  98 28 28
  99 55 55
  100 309 309
  101 70 70
  102 189 189
  103 31 31
  104 9 9
  105 3 3
  109 4 4
  110 6 6
  111 4 4
  112 31 31
  113 24 24
  114 55 55
  115 35 35
  116 140 140
  117 92 92
  118 18 18
  119 12 12
  120 2 2
  121 3 3
  122 1 1
  123 1 1
  124 5 5
  125 2 2
  126 29 29
  127 7 7
  128 130 130
  129 56 56
  130 133 133
  131 85 85
  132 38 38
  133 94 94
  134 15 15
  135 7 7
  136 1 1
  138 1 1
  139 2 2
  140 15 15
  141 8 8
  142 154 154
  143 33 33
  144 135 135
  145 31 31
  146 100 100
  147 183 183
  148 36 36
  149 15 15
  150 3 3
  151 1 1
  152 1 1
  153 1 1
  154 2 2
  155 2 2
  156 18 18
  157 9 9
  158 70 70
  159 315 315
  160 51 51
  161 17 17
  162 2 2
  163 1 1
  167 1 1
  168 4 4
  169 4 4
  170 19 19
  171 6 6
  172 124 124
  173 32 32
  174 999 999
  175 183 183
  176 85 85
  177 10 10
  178 2 2
  183 62 62
  184 23 23
  185 12 12
  186 85 85
  187 18 18
  188 10 10
  189 2 2
  190 14 14
  191 3 3
  192 1 1
  198 2 2
  199 1 1
  200 104 104
  201 93 93
  202 31 31
  203 15 15
  204 5 5
  205 1 1
  213 7 7
  214 25 25
  215 6 6
  216 21 21
  217 5 5
  218 3 3
  220 1 1
  230 3 3
  231 1 1
  241 1 1
  242 1 1
  243 11 11
  244 2 2
  245 4 4
  246 1 1
  248 11 11
  249 3 3
  250 1 1
  259 2 2
  273 24 24
  274 6 6
  275 2 2
  330 3 3
  331 51 51
  332 16 16
  333 7 7
  334 1 1
  346 10 10
  347 3 3
  348 1 1
//