MassBank Record: JP008882



 ORTHO-AMINOTHIOPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP008882
RECORD_TITLE: ORTHO-AMINOTHIOPHENOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, 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: INCHIKEY VRVRGVPWCUEOGV-UHFFFAOYSA-N
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 //