ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004142
RECORD_TITLE: N-DODECYL-2-THIOXOPYRROLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-DODECYL-2-THIOXOPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₁NS
CH$EXACT_MASS: 269.21772
CH$SMILES: CCCCCCCCCCCCN(C1)C(=S)CC1
CH$IUPAC: InChI=1S/C16H31NS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h2-15H2,1H3
CH$LINK: INCHIKEY XZIGJCHACSCDHN-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-00kr-6980000000-b9129a539343ddc48371
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
  26 0.4 4
  27 2.8 28
  28 2 20
  29 0.7 7
  30 7 70
  31 1.6 16
  39 2.2 22
  40 0.06 1
  41 18 180
  42 3.8 38
  43 11 110
  44 0.24 2
  45 2.7 27
  46 0.3 3
  47 0.5 5
  53 0.12 1
  54 1.6 16
  55 15 150
  56 2.4 24
  57 0.3 3
  58 0.7 7
  59 0.9 9
  60 1.3 13
  61 0.03 0
  65 0.3 3
  66 0.2 2
  67 2.4 24
  68 0.19 2
  69 6.6 66
  70 3.2 32
  71 1.1 11
  72 0.1 1
  73 2.2 22
  74 0.5 5
  75 0.3 3
  76 0.02 0
  77 0.3 3
  78 0.3 3
  79 0.4 4
  80 0.06 1
  81 1.2 12
  82 4.8 48
  83 2.9 29
  84 0.07 1
  85 14.2 142
  86 1.5 15
  87 2.2 22
  88 0.03 0
  89 0.1 1
  91 0.3 3
  92 0.1 1
  93 0.03 0
  94 0.3 3
  95 0.4 4
  96 1.6 16
  97 0.07 1
  98 0.4 4
  99 0.5 5
  100 3 30
  101 0.13 1
  102 17 170
  103 1 10
  104 0.8 8
  105 0.01 0
  106 0.1 1
  107 0.1 1
  108 0.4 4
  109 0.03 0
  110 1.1 11
  111 0.2 2
  112 0.3 3
  113 0.03 0
  114 11.6 116
  115 71.4 714
  116 5.2 52
  117 0.3 3
  118 0.2 2
  120 0.2 2
  121 0.1 1
  122 0.04 0
  123 0.4 4
  124 0.9 9
  125 0.1 1
  126 0.17 2
  127 0.5 5
  128 18.8 188
  129 4.6 46
  130 0.1 1
  131 0.3 3
  136 0.4 4
  137 0.1 1
  138 0.15 2
  139 0.2 2
  140 0.4 4
  141 0.6 6
  142 0.78 8
  143 1.4 14
  144 0.4 4
  145 0.1 1
  149 0.04 0
  150 0.3 3
  152 1.1 11
  153 0.2 2
  154 0.02 0
  155 0.2 2
  156 4.8 48
  157 0.6 6
  158 0.03 0
  164 0.2 2
  165 0.1 1
  166 1 10
  167 0.01 0
  168 0.1 1
  169 0.1 1
  170 4 40
  171 0.05 1
  172 0.3 3
  180 1 10
  181 0.2 2
  184 0.38 4
  185 0.6 6
  186 0.3 3
  194 1 10
  195 0.02 0
  196 0.1 1
  198 3.4 34
  199 0.4 4
  200 0.02 0
  207 0.2 2
  208 0.4 4
  209 0.1 1
  210 0.01 0
  212 2.7 27
  213 0.4 4
  214 0.2 2
  226 0.26 3
  227 0.3 3
  228 0.2 2
  234 0.3 3
  235 0.02 0
  236 99.99 999
  237 20.8 208
  238 1.6 16
  239 0.01 0
  240 2.3 23
  241 0.4 4
  242 0.1 1
  250 0.03 0
  254 1 10
  255 0.3 3
  256 0.1 1
  264 0.05 1
  265 0.1 1
  266 0.1 1
  267 0.1 1
  268 0.64 6
  269 18.4 184
  270 4 40
  271 1.1 11
  272 0.1 1
//