MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008882
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008882
RECORD_TITLE: ORTHO-AMINOTHIOPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ORTHO-AMINOTHIOPHENOL
CH$NAME: 2-MERCAPTOANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NS
CH$EXACT_MASS: 125.02992
CH$SMILES: Nc(c1)c(S)ccc1
CH$IUPAC: InChI=1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
CH$LINK: COMPTOX
DTXSID6051693
CH$LINK: INCHIKEY
VRVRGVPWCUEOGV-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8713
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0059-9300000000-543f4389ce662bdf4484
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
27 5.79 58
28 5.17 52
29 2.67 27
37 5.88 59
38 10.87 109
39 24.96 250
40 4.37 44
41 9.63 96
42 4.1 41
43 3.12 31
44 3.39 34
45 19.43 194
50 7.22 72
51 10.7 107
52 14.53 145
53 20.68 207
54 6.24 62
57 5.88 59
58 4.63 46
60 4.01 40
61 3.57 36
61.5 2.67 27
62 5.88 59
62.5 4.28 43
63 13.28 133
64 6.95 70
65 16.93 169
66 8.47 85
67 2.94 29
69 15.15 152
70 8.2 82
71 3.92 39
80 41.8 418
81 21.21 212
82 4.37 44
91 3.74 37
92 4.55 46
93 26.74 267
94 4.46 45
95 3.12 31
96 3.48 35
97 16.49 165
98 9.89 99
99 3.65 37
108 4.1 41
124 20.23 202
125 99.99 999
126 10.7 107
127 4.99 50
//