MassBank Record: MSBNK-Keio_Univ-KO002352
ACCESSION: MSBNK-Keio_Univ-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
//