ACCESSION: MSBNK-Keio_Univ-KO002268
RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQ; MS2; CE:10 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 A112

CH$NAME: N8-Acetylspermidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₁N₃O
CH$EXACT_MASS: 187.16846
CH$SMILES: NCCCNCCCCNC(C)=O
CH$IUPAC: InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)
CH$LINK: CAS 34450-15-2
CH$LINK: KEGG C01029
CH$LINK: PUBCHEM SID:4273
CH$LINK: INCHIKEY FONIWJIDLJEJTL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60158637

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 188
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0900000000-d04fb233b228bfc46b79
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  57.800 34653.5 1
  71.900 198020.0 1
  78.400 59406.0 1
  83.400 39604.0 1
  84.000 49505.0 1
  84.800 24752.5 1
  87.000 212871.5 1
  88.200 49505.0 1
  92.900 29703.0 1
  98.900 64356.5 1
  99.800 148515.0 1
  102.000 108911.0 1
  104.900 113861.5 1
  106.600 14851.5 1
  109.200 39604.0 1
  111.400 262376.5 1
  112.100 648515.5 1
  114.000 3331686.5 4
  117.000 183168.5 1
  124.500 59406.0 1
  125.100 79208.0 1
  125.800 44554.5 1
  127.300 29703.0 1
  129.400 178218.0 1
  130.100 84158.5 1
  131.300 1519803.5 2
  139.000 49505.0 1
  139.500 29703.0 1
  143.400 282178.5 1
  152.700 133663.5 1
  153.300 529703.5 1
  153.700 24752.5 1
  156.000 297030.0 1
  170.200 1084159.5 1
  171.200 17257443.0 20
  188.300 863089972.0 999
  189.400 198020.0 1
//