MassBank Record: KO002349



 Amifostine; 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: KO002349
RECORD_TITLE: Amifostine; 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 A170

CH$NAME: Amifostine CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H15N2O3PS CH$EXACT_MASS: 214.05410 CH$SMILES: NCCCNCCSP(O)(O)=O CH$IUPAC: InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10) CH$LINK: CAS 20537-88-6 CH$LINK: KEGG C06819 CH$LINK: NIKKAJI J23.675F
AC$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$FOCUSED_ION: PRECURSOR_M/Z 215 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0900000000-bcddc871edb434e577ae PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 75.800 29703.0 2 80.600 14851.5 1 83.500 19802.0 1 84.600 19802.0 1 95.000 64356.5 5 96.100 24752.5 2 97.000 19802.0 1 99.000 64356.5 5 101.100 29703.0 2 104.600 49505.0 3 105.000 202970.5 14 105.900 74257.5 5 106.700 24752.5 2 109.000 64356.5 5 112.200 19802.0 1 114.000 341584.5 24 117.200 29703.0 2 118.600 19802.0 1 120.700 29703.0 2 122.100 74257.5 5 123.900 49505.0 3 130.900 69307.0 5 133.300 19802.0 1 135.200 103960.5 7 137.000 54455.5 4 139.000 237624.0 17 140.000 54455.5 4 142.800 19802.0 1 147.200 158416.0 11 151.100 39604.0 3 151.400 14851.5 1 152.000 34653.5 2 164.800 34653.5 2 170.200 44554.5 3 172.900 14851.5 1 180.000 49505.0 3 182.900 29703.0 2 197.200 64356.5 5 198.400 14232687.5 999 215.500 282178.5 20 //