MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004087
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004087
RECORD_TITLE: ANILINE-2-SULFONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ANILINE-2-SULFONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NO3S
CH$EXACT_MASS: 173.01466
CH$SMILES: Nc(c1)c(ccc1)S(O)(=O)=O
CH$IUPAC: InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
CH$LINK: COMPTOX
DTXSID1024463
CH$LINK: INCHIKEY
ZMCHBSMFKQYNKA-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:6926
AC$INSTRUMENT: HITACHI M-68
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: splash10-0006-9200000000-836fba3340827e7b5279
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
17 2.6 26
18 9.2 92
26 1.9 19
27 4.4 44
28 11.1 111
36 2.7 27
38 13.2 132
40 0.56 6
41 12 120
42 3.3 33
45 1.5 15
47 0.26 3
48 10.9 109
49 1.3 13
50 6.4 64
51 0.66 7
52 19.4 194
53 7.3 73
54 5.3 53
61 0.32 3
62 7.4 74
63 20.8 208
64 33 330
65 6.66 67
66 31.7 317
67 4.4 44
77 1.5 15
78 0.33 3
79 3.3 33
80 17.9 179
81 3 30
91 99.99 999
92 27.3 273
93 72.1 721
94 6.7 67
106 0.5 5
108 8.5 85
109 2.2 22
138 8.7 87
155 4.75 48
156 5.5 55
173 82 820
174 6.8 68
175 4 40
//