MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010748
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010748
RECORD_TITLE: ACEPHATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: ACEPHATE
CH$NAME: O,S-DIMETHYL ACETYLPHOSPHORAMIDOTHIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H10NO3PS
CH$EXACT_MASS: 183.01190
CH$SMILES: CC(=O)NP(=O)(OC)SC
CH$IUPAC: InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)
CH$LINK: INCHIKEY
YASYVMFAVPKPKE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8023846
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000l-9700000000-344b49b2c272ef1f11d2
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
15 1.03 10
30 1.63 16
42 45.96 460
43 15.19 152
47 2.25 23
48 1.31 13
62 1.04 10
64 4.18 42
65 1.52 15
79 3.77 38
80 2.25 23
94 34.29 343
95 18.31 183
96 15.17 152
125 6.26 63
136 99.99 999
137 4.71 47
168 1.34 13
183 3.57 36
185 0.25 3
//