ACCESSION: MSBNK-Kazusa-KZ000092
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_05376_P000028

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 731.213 sec

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

PK$SPLASH: splash10-00di-1910000000-a06f00628b2c5d1b00d9
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  82 1 1
  83 2 2
  84 11 11
  85 15 15
  86 382 382
  87 39 39
  88 17 17
  89 2 2
  98 13 13
  99 10 10
  100 233 233
  101 41 41
  102 39 39
  103 11 11
  104 2 2
  111 1 1
  112 14 14
  113 20 20
  114 39 39
  115 22 22
  116 52 52
  117 43 43
  118 10 10
  119 2 2
  120 1 1
  125 1 1
  126 3 3
  127 3 3
  128 59 59
  129 20 20
  130 241 241
  131 62 62
  132 33 33
  133 6 6
  134 2 2
  140 1 1
  142 6 6
  143 2 2
  144 17 17
  145 4 4
  146 27 27
  147 5 5
  148 2 2
  156 3 3
  157 1 1
  158 20 20
  159 3 3
  160 94 94
  162 6 6
  170 16 16
  171 12 12
  172 483 483
  173 88 88
  174 999 999
  175 173 173
  176 62 62
  177 7 7
  178 1 1
  184 3 3
  185 8 8
  186 163 163
  187 29 29
  188 27 27
  189 5 5
  190 2 2
  191 2 2
  192 1 1
  193 1 1
  199 1 1
  200 6 6
  201 324 324
  202 61 61
  203 16 16
  204 3 3
  217 1 1
  243 1 1
  244 1 1
  257 1 1
  259 31 31
  260 7 7
  261 4 4
  273 3 3
  287 1 1
  347 2 2
  362 1 1
//