MassBank Record: KO002350



 Amifostine; 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: KO002350
RECORD_TITLE: Amifostine; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 215 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-2900000000-58ff84f991edcac36e7d PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 55.200 54455.5 8 57.100 54455.5 8 66.800 34653.5 5 69.200 158416.0 24 69.400 44554.5 7 70.900 118812.0 18 72.100 64356.5 10 79.000 49505.0 8 81.200 163366.5 25 83.000 460396.5 71 84.900 74257.5 11 86.100 54455.5 8 87.900 14851.5 2 92.800 74257.5 11 93.300 34653.5 5 94.900 222772.5 34 96.200 188119.0 29 97.100 267327.0 41 98.700 19802.0 3 100.100 128713.0 20 102.900 24752.5 4 104.200 14851.5 2 105.900 108911.0 17 107.200 118812.0 18 111.200 74257.5 11 113.800 198020.0 31 118.800 34653.5 5 120.500 39604.0 6 120.900 168317.0 26 123.400 44554.5 7 124.000 49505.0 8 125.800 29703.0 5 135.200 24752.5 4 137.300 19802.0 3 139.500 118812.0 18 142.200 24752.5 4 147.100 69307.0 11 155.500 14851.5 2 198.400 6485155.0 999 //