ACCESSION: MSBNK-Keio_Univ-KO002495
RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B040

CH$NAME: Bis(3-Aminopropyl)amine
CH$NAME: 3,3'-Iminobispropylamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₇N₃
CH$EXACT_MASS: 131.14225
CH$SMILES: NCCCNCCCN
CH$IUPAC: InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
CH$LINK: CAS 56-18-8
CH$LINK: CHEBI 16841
CH$LINK: KEGG C03375
CH$LINK: NIKKAJI J9.891D
CH$LINK: PUBCHEM SID:6210
CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0025440

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 132
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0592-9000000000-c236ecd9d64d3e812b77
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  41.000 108911.0 15
  44.200 826733.5 113
  55.100 267327.0 36
  58.100 4945549.5 674
  59.100 148515.0 20
  66.800 34653.5 5
  69.200 336634.0 46
  70.000 3940598.0 537
  72.200 49505.0 7
  72.700 84158.5 11
  74.000 277228.0 38
  75.100 178218.0 24
  79.300 29703.0 4
  83.000 19802.0 3
  83.900 59406.0 8
  86.200 94059.5 13
  96.900 108911.0 15
  97.900 7326740.0 999
  115.100 361386.5 49
  131.800 24752.5 3
//