MassBank Record: KO002269



 N8-Acetylspermidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002269
RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 188 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01w0-0900000000-e68fd1aa92642ae4208d PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 50.800 44554.5 1 57.400 39604.0 1 58.200 5930699.0 27 60.000 34653.5 1 67.400 34653.5 1 69.000 158416.0 1 70.000 282178.5 1 70.800 49505.0 1 72.100 18401008.5 85 75.100 2193071.5 10 79.100 34653.5 1 81.100 133663.5 1 83.100 173267.5 1 84.300 4757430.5 22 85.000 39604.0 1 86.000 108911.0 1 86.800 188119.0 1 89.300 74257.5 1 93.100 163366.5 1 94.900 79208.0 1 96.800 153465.5 1 98.000 99010.0 1 98.900 1019803.0 5 100.000 5712877.0 26 100.900 79208.0 1 105.200 49505.0 1 105.700 39604.0 1 107.200 79208.0 1 108.900 79208.0 1 110.000 34653.5 1 111.400 212871.5 1 112.200 30871318.0 143 114.000 118782297.0 550 115.300 19802.0 1 117.000 1113862.5 5 125.100 306931.0 1 128.100 29703.0 1 129.000 4084162.5 19 130.200 1103961.5 5 131.200 23113884.5 107 135.000 212871.5 1 143.100 6297036.0 29 146.200 460396.5 2 151.900 14851.5 1 153.100 400990.5 2 154.100 49505.0 1 155.900 59406.0 1 157.100 292079.5 1 170.400 4836638.5 22 171.300 183658599.5 851 173.200 103960.5 1 186.400 39604.0 1 188.300 215693285.0 999 189.400 44554.5 1 //