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MassBank Record: KO002352

Amifostine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002352
RECORD_TITLE: Amifostine; LC-ESI-QQ; MS2; CE:50 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$LINK: NIKKAJI J23.675F
CH$LINK: INCHIKEY JKOQGQFVAUAYPM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8022585

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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 215
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4l-9000000000-c58215f6bca055f13ab7
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  43.100 99010.0 285
  44.000 64356.5 186
  55.200 346535.0 999
  57.300 49505.0 143
  57.500 14851.5 43
  66.900 59406.0 171
  69.300 123762.5 357
  69.500 24752.5 71
  70.100 14851.5 43
  78.100 14851.5 43
  80.200 34653.5 100
  83.300 49505.0 143
  92.400 19802.0 57
  93.100 39604.0 114
  96.200 39604.0 114
//

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