ACCESSION: MSBNK-RIKEN-PR010001
RECORD_TITLE: 1,3-Diaminopropane; GC-EI-TOF; MS; 4 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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$LINK: CAS 10517-44-9
CH$LINK: NIKKAJI J220.403G
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$CHROMATOGRAPHY: RETENTION_INDEX 1644.8
AC$CHROMATOGRAPHY: RETENTION_TIME 407.323 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C15H42N2Si4
MS$FOCUSED_ION: DERIVATIVE_MASS 362.24251
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-6910000000-aff47ff9c6e0a888ca86
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  60 23 23
  61 10 10
  70 11 11
  71 8 8
  72 27 27
  73 999 999
  74 90 90
  75 26 26
  76 1 1
  77 3 3
  83 2 2
  84 7 7
  85 10 10
  86 407 407
  87 41 41
  88 18 18
  89 1 1
  98 9 9
  99 6 6
  100 193 193
  101 30 30
  102 31 31
  103 8 8
  104 2 2
  112 15 15
  113 12 12
  114 26 26
  115 14 14
  116 33 33
  117 32 32
  118 6 6
  119 2 2
  126 4 4
  127 2 2
  128 70 70
  129 23 23
  130 117 117
  131 34 34
  132 18 18
  133 3 3
  134 1 1
  142 3 3
  143 2 2
  144 12 12
  145 4 4
  146 40 40
  147 6 6
  148 3 3
  156 3 3
  157 1 1
  158 16 16
  159 3 3
  160 301 301
  161 51 51
  162 22 22
  163 2 2
  170 7 7
  171 4 4
  172 238 238
  173 56 56
  174 481 481
  175 90 90
  176 42 42
  177 5 5
  184 1 1
  185 3 3
  186 85 85
  187 18 18
  188 14 14
  189 3 3
  190 1 1
  200 2 2
  201 270 270
  202 59 59
  203 24 24
  204 3 3
  259 8 8
  260 2 2
  261 1 1
  273 1 1
  347 2 2
  362 1 1
//