MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002956
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002956
RECORD_TITLE: METHYL N-PHENYLDITHIOCARBAMATE; 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$NAME: METHYL N-PHENYLDITHIOCARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9NS2
CH$EXACT_MASS: 183.01764
CH$SMILES: CSC(=S)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C8H9NS2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
CH$LINK: INCHIKEY
MOOSRNWDPWTOBF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80220380
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: splash10-0f9i-9500000000-7f3db26edd0a555f6b92
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 3.06 31
37 4.1 41
38 6.6 66
39 13.55 136
45 19.02 190
46 5.41 54
47 29.7 297
48 24.19 242
49 2.73 27
50 24.05 241
51 53.67 537
52 4.64 46
63 6.55 66
64 6.22 62
65 7.88 79
68 3.71 37
74 6.43 64
75 4.95 50
76 6.79 68
77 99.99 999
78 8.42 84
91 23.21 232
108 3.66 37
109 14.92 149
110 3.83 38
135 99.59 996
136 48.17 482
137 8.11 81
150 2.74 27
183 25.36 254
184 3.65 37
185 2.44 24
//