MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002878
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002878
RECORD_TITLE: TRIFLUOROMETHYL-P-CHLOROPHENYL-THIOETHER; 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$NAME: TRIFLUOROMETHYL-P-CHLOROPHENYL-THIOETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H4ClF3S
CH$EXACT_MASS: 211.96743
CH$SMILES: Clc(c1)ccc(c1)SC(F)(F)F
CH$IUPAC: InChI=1S/C7H4ClF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
CH$LINK: INCHIKEY
ATFBQTUDGRJCNB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80352857
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03dl-6940000000-9224a6e90b8f838f1245
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
38 5.11 51
39 4.67 47
45 7.49 75
50 13.51 135
51 5.09 51
57 4.87 49
58 3.36 34
61 3.98 40
62 6.6 66
63 18.11 181
69 36.26 363
73 9.06 91
74 8.47 85
75 14.23 142
81 4.91 49
82 11.03 110
99 13.77 138
101 4.64 46
107 4.52 45
108 56.51 565
109 4.84 48
110 2.57 26
111 3.45 35
143 99.99 999
144 8.5 85
145 37.87 379
146 2.71 27
193 5.14 51
195 2.18 22
212 75.21 752
213 6.55 66
214 27.65 277
215 2.6 26
//