MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003293
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003293
RECORD_TITLE: N-ETHYL-P-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$NAME: N-ETHYL-P-TOLUENESULFONAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13NO2S
CH$EXACT_MASS: 199.06670
CH$SMILES: CCNS(=O)(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
CH$LINK: INCHIKEY
OHPZPBNDOVQJMH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025310
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$SPLASH: splash10-0536-6900000000-2e57f0f16b27e878cd64
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
50 2.6 26
51 5.9 59
52 1.7 17
53 1.3 13
61 2 20
62 8.5 85
63 2.9 29
65 32.3 323
66 1.9 19
77 4.5 45
78 1.5 15
79 1.7 17
89 8.4 84
90 5 50
91 95.8 958
92 16.9 169
106 1.6 16
107 2.1 21
108 1.3 13
120 1.8 18
134 1.3 13
139 3.3 33
155 99.99 999
156 10 100
157 6.1 61
182 1.4 14
184 87.1 871
185 8.1 81
186 4.1 41
198 1.3 13
199 33.6 336
200 9.2 92
201 2.4 24
//
system version 2.2.8-SNAPSHOT