MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009132
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009132
RECORD_TITLE: METHYL PHENYL SULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL PHENYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8S
CH$EXACT_MASS: 124.03467
CH$SMILES: CSc(c1)cccc1
CH$IUPAC: InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
CH$LINK: INCHIKEY
HNKJADCVZUBCPG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8059217
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0fk9-9500000000-e5cde2928e0b7e33c1cc
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
15 5.68 57
26 1.26 13
27 3.11 31
37 1.85 19
38 4.41 44
39 19.29 193
45 28.64 286
46 7.9 79
47 5.09 51
49 1.39 14
50 18.14 181
51 34.82 348
52 3.18 32
57 2.3 23
58 2.04 20
61 1.25 13
62 6.11 61
63 6.12 61
65 22.52 225
66 1.38 14
69 14.67 147
70 1.15 12
71 1.48 15
73 1.16 12
74 6.23 62
75 2.84 28
76 1.81 18
77 12.7 127
78 42.96 430
79 6.05 61
81 2.1 21
82 5.12 51
83 1.61 16
91 31.68 317
92 2.02 20
108 5.64 56
109 46.38 464
110 3.12 31
111 1.97 20
123 8.22 82
124 99.99 999
125 8.31 83
126 4.82 48
//