ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006290
RECORD_TITLE: METHYL (4-AMINOBENZENESULFONYL)CARBAMATE; 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$NAME: METHYL (4-AMINOBENZENESULFONYL)CARBAMATE
CH$NAME: ASULAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀N₂O₄S
CH$EXACT_MASS: 230.03613
CH$SMILES: COC(=O)NS(=O)(=O)c(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
CH$LINK: INCHIKEY VGPYEHKOIGNJKV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8023890

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a5c-9500000000-5c27b1b83dc177d76639
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  14 1.15 12
  15 20.61 206
  27 1.23 12
  28 5.53 55
  29 25.31 253
  30 4.12 41
  31 38.41 384
  32 68.42 684
  33 4.65 47
  38 2.12 21
  39 17.98 180
  40 1.3 13
  41 5.47 55
  42 2.52 25
  43 1.04 10
  44 1.97 20
  48 1.3 13
  50 1.06 11
  51 1.77 18
  52 6.02 60
  53 4.61 46
  54 2.97 30
  58 2.5 25
  59 4.79 48
  62 1.09 11
  63 7.52 75
  64 8.48 85
  65 67.65 677
  66 9.62 96
  67 0.97 10
  78 1.2 12
  79 2.44 24
  80 10.15 102
  81 1.15 12
  90 3.55 36
  91 7.32 73
  92 99.99 999
  93 8.4 84
  94 0.65 7
  105 1.32 13
  106 1.99 20
  107 7.57 76
  108 55.35 554
  109 67.26 673
  110 4.79 48
  123 2.02 20
  124 0.8 8
  134 4.03 40
  135 0.68 7
  140 6.02 60
  141 0.57 6
  156 63.93 639
  157 5.11 51
  158 3.27 33
  166 11.98 120
  167 1.33 13
  172 1.52 15
  173 4.08 41
  187 0.75 8
  198 18.19 182
  199 2.06 21
  200 1 10
  230 33.98 340
  231 4.35 44
  232 2.05 21
//