MassBank Record: KO002268



 N8-Acetylspermidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM SID:4273
AC$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 //