MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003294
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003294
RECORD_TITLE: N-ETHYL-O-TOLUENESULFONAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: N-ETHYL-O-TOLUENESULFONAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13NO2S
CH$EXACT_MASS: 199.06670
CH$SMILES: CCNS(=O)(=O)c(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
CH$LINK: INCHIKEY
NATWUQFQFMZVMT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5052416
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9700000000-939c8ed5ece25033bd37
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
44 48.8 488
45 1.6 16
50 3.3 33
51 6.7 67
52 2.2 22
53 1.7 17
57 1.9 19
61 3 30
62 11.4 114
63 3.7 37
65 54.7 547
66 3 30
77 6.8 68
78 2.7 27
79 2.1 21
89 12 120
90 22.7 227
91 99.99 999
92 16.8 168
106 6.8 68
107 5.7 57
108 3.5 35
109 1.6 16
111 1.5 15
120 7.4 74
134 2.3 23
137 4.9 49
139 8 80
154 1.7 17
155 87.8 878
156 6.8 68
157 4 40
171 6 60
180 1.7 17
184 41.3 413
185 4.7 47
186 1.7 17
199 40.4 404
200 8.7 87
201 2.7 27
//