ACCESSION: MSBNK-Kazusa-KZ000002
RECORD_TITLE: 1,3-Diaminopropane; 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_01380_P000033

CH$NAME: 1,3-Diaminopropane
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₃H₁₀N₂
CH$EXACT_MASS: 74.08440
CH$SMILES: NCCCN
CH$IUPAC: InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
CH$LINK: CAS 109-76-2
CH$LINK: KEGG C00986
CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021906

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 1576.9
AC$CHROMATOGRAPHY: RETENTION_TIME 731.678 sec

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

PK$SPLASH: splash10-00dr-1900000000-5d8fbabd14e52e72c81e
PK$NUM_PEAK: 166
PK$PEAK: m/z int. rel.int.
  82 3 3
  83 6 6
  84 43 43
  85 25 25
  86 674 674
  87 74 74
  88 34 34
  89 4 4
  90 2 2
  91 1 1
  94 1 1
  96 2 2
  97 3 3
  98 18 18
  99 13 13
  100 303 303
  101 53 53
  102 47 47
  103 15 15
  104 5 5
  105 1 1
  106 1 1
  107 1 1
  108 1 1
  111 1 1
  112 23 23
  113 28 28
  114 46 46
  115 28 28
  116 57 57
  117 51 51
  118 11 11
  119 4 4
  120 1 1
  122 1 1
  123 1 1
  124 1 1
  125 2 2
  126 8 8
  127 5 5
  128 76 76
  129 31 31
  130 258 258
  131 69 69
  132 35 35
  133 7 7
  134 3 3
  135 2 2
  136 1 1
  137 1 1
  138 1 1
  139 1 1
  140 2 2
  141 1 1
  142 7 7
  143 4 4
  144 23 23
  145 8 8
  146 63 63
  147 13 13
  148 5 5
  149 2 2
  150 1 1
  151 1 1
  152 1 1
  153 1 1
  154 2 2
  155 2 2
  156 8 8
  157 6 6
  158 36 36
  159 8 8
  160 446 446
  161 79 79
  162 37 37
  163 5 5
  164 2 2
  165 1 1
  166 1 1
  167 1 1
  168 1 1
  169 1 1
  170 21 21
  171 13 13
  172 526 526
  173 116 116
  174 999 999
  175 186 186
  176 81 81
  177 11 11
  178 3 3
  179 1 1
  180 1 1
  181 1 1
  182 1 1
  183 1 1
  184 4 4
  185 9 9
  186 156 156
  187 37 37
  188 30 30
  189 7 7
  190 5 5
  191 2 2
  192 2 2
  193 2 2
  194 1 1
  197 1 1
  198 2 2
  199 3 3
  200 6 6
  201 289 289
  202 65 65
  203 26 26
  204 6 6
  205 2 2
  206 1 1
  210 1 1
  212 1 1
  213 1 1
  214 1 1
  215 2 2
  216 1 1
  217 2 2
  218 1 1
  219 1 1
  225 1 1
  227 1 1
  228 2 2
  229 1 1
  230 1 1
  236 1 1
  238 1 1
  241 1 1
  243 2 2
  244 1 1
  257 1 1
  259 15 15
  260 4 4
  261 2 2
  262 1 1
  265 1 1
  273 1 1
  275 1 1
  278 1 1
  282 1 1
  286 1 1
  287 1 1
  302 1 1
  304 1 1
  333 1 1
  341 1 1
  343 1 1
  344 1 1
  347 1 1
  359 1 1
  365 1 1
  368 1 1
  369 1 1
  382 1 1
  391 1 1
  394 1 1
  395 1 1
  397 1 1
  398 1 1
  400 1 1
//