MassBank Record: PR010027



 Hypotaurine; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010027
RECORD_TITLE: Hypotaurine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Hypotaurine CH$NAME: 2-Aminoethanesulfinic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C2H7NO2S CH$EXACT_MASS: 109.01975 CH$SMILES: NCCS(O)=O CH$IUPAC: InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) CH$LINK: CAS 300-84-5 CH$LINK: CHEBI 16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A CH$LINK: PUBCHEM 3802
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_INDEX 1598.1 AC$CHROMATOGRAPHY: RETENTION_TIME 396.365 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C11H31NO2SSi3 MS$FOCUSED_ION: DERIVATIVE_MASS 325.13833 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fki-5900000000-0569fb6d8502d22d2b7e PK$NUM_PEAK: 95 PK$PEAK: m/z int. rel.int. 60 20 20 61 15 15 62 3 3 63 1 1 64 11 11 66 4 4 70 14 14 71 8 8 72 25 25 73 999 999 74 96 96 75 88 88 76 8 8 77 18 18 78 2 2 79 8 8 83 1 1 84 4 4 85 6 6 86 82 82 87 11 11 88 5 5 89 2 2 90 1 1 91 3 3 92 1 1 93 1 1 98 4 4 99 5 5 100 629 629 101 72 72 102 33 33 103 6 6 104 2 2 105 2 2 106 1 1 113 9 9 114 107 107 115 22 22 116 35 35 117 13 13 118 3 3 119 7 7 120 1 1 121 1 1 122 10 10 123 1 1 124 1 1 129 4 4 130 86 86 131 28 28 132 16 16 133 52 52 134 8 8 135 10 10 136 1 1 137 5 5 138 1 1 142 1 1 144 1 1 145 1 1 146 19 19 147 156 156 148 28 28 149 16 16 150 2 2 151 1 1 156 1 1 158 3 3 159 1 1 160 3 3 161 1 1 172 65 65 173 12 12 174 98 98 175 17 17 176 32 32 177 5 5 178 2 2 187 10 10 188 509 509 189 103 103 190 44 44 191 5 5 192 1 1 194 2 2 209 4 4 220 1 1 222 2 2 248 11 11 249 2 2 250 1 1 310 18 18 311 5 5 312 3 3 //