MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006291
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006291
RECORD_TITLE: SULFANILAMIDE; 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$NAME: SULFANILAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8N2O2S
CH$EXACT_MASS: 172.03065
CH$SMILES: Nc(c1)ccc(c1)S(N)(=O)=O
CH$IUPAC: InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
CH$LINK: CAS
63-74-1
CH$LINK: COMPTOX
DTXSID4023622
CH$LINK: INCHIKEY
FDDDEECHVMSUSB-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:5333
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$SPLASH: splash10-0avl-9800000000-517ec40f53253fdb0135
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
15 0.61 6
27 1.75 18
28 11.39 114
32 1.98 20
38 1.52 15
39 18.56 186
40 1.26 13
41 5.59 56
42 2.54 25
43 0.96 10
44 0.96 10
45 0.59 6
46 0.68 7
48 0.95 10
50 0.96 10
51 1.57 16
52 5.41 54
53 5.88 59
54 4.66 47
55 0.54 5
62 0.75 8
63 7.31 73
64 11.08 111
65 70.78 708
66 10.04 100
67 0.9 9
75 0.71 7
78 0.86 9
79 1.02 10
80 16.03 160
81 2.3 23
90 2.49 25
91 7.06 71
92 81.93 819
93 7.12 71
106 0.55 6
107 8.24 82
108 51.25 513
109 5.93 59
123 0.95 10
124 0.75 8
125 0.5 5
140 4.44 44
156 72.92 729
157 5.74 57
158 3.77 38
172 99.99 999
173 8.53 85
174 5.35 54
//