ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009549
RECORD_TITLE: 2-AMINOMETHYLTHIAZOLE-4-CARBOXYLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 2-AMINOMETHYLTHIAZOLE-4-CARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H6N2O2S
CH$EXACT_MASS: 158.01500
CH$SMILES: NCc(s1)nc(C(O)=O)c1
CH$IUPAC: InChI=1S/C5H6N2O2S/c6-1-4-7-3(2-10-4)5(8)9/h2H,1,6H2,(H,8,9)
CH$LINK: CAS 25438-22-6
CH$LINK: INCHIKEY DOIRUXCDSGNCMX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90329651
AC$INSTRUMENT: HITACHI M-80
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: splash10-001i-9300000000-14dabad9dc7119214e23
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  14 3.41 34
  15 1.99 20
  16 1.5 15
  17 3.05 31
  18 10.61 106
  26 1.68 17
  27 1.67 17
  28 46.75 468
  29 6.52 65
  30 99.99 999
  31 10.62 106
  32 8.09 81
  35 8.56 86
  36 30.4 304
  37 3.22 32
  38 10.62 106
  39 2.84 28
  40 4.43 44
  41 4.77 48
  42 5.61 56
  43 1.65 17
  44 3.24 32
  45 27.79 278
  46 3.07 31
  47 1.22 12
  51 2.26 23
  52 3.13 31
  53 6.95 70
  54 1.27 13
  55 3.13 31
  56 3.41 34
  57 15.54 155
  58 8.72 87
  59 3.28 33
  60 1.22 12
  61 1.37 14
  68 1.73 17
  69 3.18 32
  70 2.83 28
  71 1.47 15
  72 1.39 14
  73 1.06 11
  82 2.35 24
  83 3.13 31
  84 6.47 65
  85 4.16 42
  86 1.46 15
  111 2.8 28
  112 31.8 318
  113 3.32 33
  114 1.96 20
  130 28.64 286
  131 4.11 41
  132 1.44 14
  139 11.86 119
  140 18.56 186
  141 3.83 38
  142 1.61 16
  157 2.75 28
  158 19.77 198
  159 4.35 44
  160 1.26 13
//
