MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009823
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009823
RECORD_TITLE: CHLOROMETHYL PHENYL SULFONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: CHLOROMETHYL PHENYL SULFONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7ClO2S
CH$EXACT_MASS: 189.98553
CH$SMILES: ClCS(=O)(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
CH$LINK: INCHIKEY
NXAIQSVCXQZNRY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00222386
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004l-9800000000-7a3b6476452b0064ba7a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 1.8 18
28 2.1 21
48 1.2 12
49 0.35 4
50 1.6 16
51 38.1 381
52 2 20
63 0.16 2
65 3.5 35
69 1.1 11
74 4.2 42
75 0.28 3
76 3.1 31
77 82.9 829
78 13.7 137
91 0.34 3
97 4 40
125 17.7 177
126 1.5 15
141 99.99 999
142 11.9 119
143 7.4 74
160 2.7 27
190 2.41 24
191 2.9 29
192 8.8 88
//