MassBank Record: KO002265



 N1-Acetylspermine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002265
RECORD_TITLE: N1-Acetylspermine; 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 A111

CH$NAME: N1-Acetylspermine CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H28N4O CH$EXACT_MASS: 244.22631 CH$SMILES: NCCCNCCCCNCCCNC(C)=O CH$IUPAC: InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17) CH$LINK: CAS 77928-70-2 CH$LINK: CHEBI 17312 CH$LINK: KEGG C02567 CH$LINK: PUBCHEM SID:5564
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 245 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0ik9-1900000000-99bd1a086e687629194d PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 58.300 2069309.0 25 67.100 24752.5 1 68.100 69307.0 1 69.300 287129.0 3 70.000 193069.5 2 71.000 79208.0 1 72.100 7915849.5 95 74.300 44554.5 1 80.200 108911.0 1 81.200 74257.5 1 82.100 193069.5 2 83.100 84158.5 1 84.400 11826744.5 143 86.200 158416.0 2 91.900 108911.0 1 92.900 44554.5 1 94.900 39604.0 1 96.200 74257.5 1 98.100 143564.5 2 99.100 717822.5 9 100.100 82277310.0 992 101.900 79208.0 1 105.800 178218.0 2 106.400 54455.5 1 107.400 34653.5 1 108.100 49505.0 1 108.800 326733.0 4 109.900 504951.0 6 111.400 29703.0 1 112.300 82841667.0 999 114.100 138614.0 2 117.300 64356.5 1 118.500 173267.5 2 120.400 331683.5 4 121.200 3099013.0 37 122.400 143564.5 2 123.800 29703.0 1 124.900 34653.5 1 127.200 658416.5 8 129.100 21742596.0 262 130.200 99010.0 1 142.100 128713.0 2 145.300 14851.5 1 146.500 14851.5 1 149.200 24752.5 1 153.000 59406.0 1 154.000 74257.5 1 160.400 153465.5 2 163.300 148515.0 2 171.400 7128720.0 86 173.100 49505.0 1 184.300 29703.0 1 227.000 668317.5 8 228.600 34653.5 1 245.600 94059.5 1 254.700 89109.0 1 //