MassBank Record: PR010225



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

ACCESSION: PR010225
RECORD_TITLE: Cysteamine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (2006.12.21, 2011.05.06)
AUTHORS: Kusano MPlant Science Center, RIKEN., Fukushima APlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Cysteamine CH$NAME: beta-Mercaptoethylamine CH$NAME: Thioethanolamine CH$NAME: beta-Aminoethanethiol CH$NAME: Mercaptamine CH$NAME: 2-Aminoethanethiol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C2H7NS CH$EXACT_MASS: 77.02992 CH$SMILES: NCCS CH$IUPAC: InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2 CH$LINK: CAS 60-23-1 CH$LINK: CHEBI 17141 CH$LINK: KEGG C01678 CH$LINK: NIKKAJI J62.801H CH$LINK: PUBCHEM 4821 CH$LINK: INCHIKEY UFULAYFCSOUIOV-UHFFFAOYSA-N
AC$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 2218.3 AC$CHROMATOGRAPHY: RETENTION_TIME 555.72 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C11H31NSSi3 MS$FOCUSED_ION: DERIVATIVE_MASS 293.1485 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-7900000000-25e27a3413a3e9bd6e86 PK$NUM_PEAK: 90 PK$PEAK: m/z int. rel.int. 60 27 27 61 14 14 63 1 1 66 1 1 67 1 1 69 1 1 70 21 21 71 11 11 72 33 33 73 999 999 74 98 98 75 36 36 76 3 3 77 9 9 78 1 1 79 1 1 83 1 1 84 6 6 85 9 9 86 272 272 87 27 27 88 12 12 89 4 4 90 2 2 91 11 11 92 1 1 93 1 1 98 5 5 99 6 6 100 251 251 101 38 38 102 23 23 103 4 4 104 3 3 105 14 14 106 1 1 107 1 1 113 9 9 114 28 28 115 11 11 116 44 44 117 16 16 118 15 15 119 3 3 120 1 1 128 1 1 129 4 4 130 87 87 131 25 25 132 32 32 133 7 7 134 3 3 135 1 1 142 1 1 143 1 1 144 4 4 145 1 1 146 21 21 147 7 7 148 11 11 149 5 5 150 1 1 151 1 1 158 7 7 159 1 1 160 1 1 161 1 1 163 1 1 172 30 30 173 6 6 174 863 863 175 163 163 176 82 82 177 10 10 178 2 2 187 1 1 188 49 49 189 10 10 190 51 51 191 10 10 192 7 7 193 1 1 204 6 6 205 2 2 206 2 2 219 1 1 220 68 68 221 14 14 222 8 8 223 1 1 //