MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003507
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003507
RECORD_TITLE: O,O,O-TRIMETHYLPHOSPHOROTHIOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: O,O,O-TRIMETHYLPHOSPHOROTHIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H9O3PS
CH$EXACT_MASS: 156.00100
CH$SMILES: COP(=S)(OC)OC
CH$IUPAC: InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3
CH$LINK: INCHIKEY
XWSLYQXUTWUIKM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30164927
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-08i0-3900000000-183d52dcc8c1df5ba8e1
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
43 3.33 33
45 11.75 118
46 4.78 48
59 6.39 64
72 2.24 22
79 40.11 401
80 15.58 156
93 3.46 35
95 8.83 88
109 54.54 545
110 99.99 999
111 4.02 40
125 5.27 53
126 13.07 131
141 6.76 68
152 1.37 14
156 40.27 403
157 1.16 12
158 1.17 12
//