ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009551
RECORD_TITLE: 2-(1-AMINOETHYL)TIAZOL-4-CARBOXLIC 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$NAME: 2-(1-AMINOETHYL)TIAZOL-4-CARBOXLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8N2O2S
CH$EXACT_MASS: 172.03065
CH$SMILES: CC(N)c(s1)nc(C(O)=O)c1
CH$IUPAC: InChI=1S/C6H8N2O2S/c1-3(7)5-8-4(2-11-5)6(9)10/h2-3H,7H2,1H3,(H,9,10)
CH$LINK: CAS 57001-28-2
CH$LINK: INCHIKEY IZYPOVIPPSQRBI-UHFFFAOYSA-N
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$SPLASH: splash10-0a4u-9500000000-7c3dd6440b8ce3e94b2c
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  14 4.92 49
  15 16.21 162
  16 8.1 81
  17 11.02 110
  18 30.39 304
  19 4.01 40
  25 1.34 13
  26 4.23 42
  27 12.64 126
  28 59.54 595
  29 11.09 111
  30 9.59 96
  31 1.87 19
  32 8.4 84
  33 1.27 13
  36 3.44 34
  37 1.9 19
  38 5.21 52
  39 8.79 88
  40 10.71 107
  41 14.64 146
  42 44.21 442
  43 16.86 169
  44 94.86 949
  45 55.97 560
  46 5.58 56
  47 2.31 23
  51 3.8 38
  52 7.69 77
  53 14.35 144
  54 5.78 58
  55 7.06 71
  56 4.86 49
  57 31.64 316
  58 16.39 164
  59 7.61 76
  60 2.92 29
  61 2.54 25
  66 1.76 18
  67 2.18 22
  68 2.78 28
  69 3.45 35
  70 6.11 61
  71 3.81 38
  72 2.77 28
  73 3.12 31
  74 1.1 11
  76 1.02 10
  82 4.25 43
  83 5.41 54
  84 15.37 154
  85 7.26 73
  86 2.46 25
  110 2.37 24
  111 5.8 58
  112 50.97 510
  113 4.81 48
  114 2.43 24
  126 7.66 77
  127 1.93 19
  129 1.42 14
  130 21.06 211
  131 4.41 44
  132 1.3 13
  138 4.62 46
  139 99.99 999
  140 19.34 193
  141 6.79 68
  144 2.33 23
  153 7.86 79
  154 3.27 33
  155 1.82 18
  157 86.88 869
  158 25.95 260
  159 7.22 72
  160 1.45 15
  171 1.04 10
  172 18.62 186
  173 6.43 64
  174 2.01 20
//
