MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005739
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005739
RECORD_TITLE: SULFANILIC ACID; 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$NAME: SULFANILIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NO3S
CH$EXACT_MASS: 173.01466
CH$SMILES: Nc(c1)ccc(c1)S(O)(=O)=O
CH$IUPAC: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
CH$LINK: CAS
121-57-3
CH$LINK: INCHIKEY
HVBSAKJJOYLTQU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6024464
AC$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: splash10-05fr-8900000000-e928aec8ce5fc6e7ed0e
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
18 2.3 23
27 2.9 29
28 8.9 89
38 3.6 36
39 14.8 148
40 2.1 21
48 4.6 46
51 3.1 31
52 6.3 63
53 7.3 73
54 3.6 36
62 3.5 35
63 9 90
64 6.8 68
65 34.8 348
66 6.8 68
80 28.2 282
81 5.6 56
91 5.7 57
92 25.8 258
93 11.5 115
104 2.5 25
106 4.9 49
108 62.5 625
109 13.4 134
140 2.2 22
156 7.2 72
173 99.99 999
174 8.5 85
175 6 60
//
system version 2.2.6-SNAPSHOT