ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004138
RECORD_TITLE: 4-CARBOXYL-N-DODECYL-2-PYRROLIDONE; 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$NAME: 4-CARBOXYL-N-DODECYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H31NO3
CH$EXACT_MASS: 297.23039
CH$SMILES: CCCCCCCCCCCCN(C1)C(=O)CC(C(O)=O)1
CH$IUPAC: InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17(20)21)13-16(18)19/h15H,2-14H2,1H3,(H,20,21)
CH$LINK: INCHIKEY ZNQTZHTYSHEJLH-UHFFFAOYSA-N
AC$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: splash10-0006-6920000000-f418f0cfa3219c80bb75
PK$NUM_PEAK: 195
PK$PEAK: m/z int. rel.int.
  26 0.8 8
  27 6 60
  28 8.2 82
  29 1.6 16
  30 22 220
  31 0.7 7
  32 0.7 7
  33 0.02 0
  34 0.1 1
  35 0.5 5
  36 1.3 13
  37 0.02 0
  38 0.5 5
  39 7.8 78
  40 2.2 22
  41 3.78 38
  42 23.4 234
  43 26 260
  44 6.8 68
  45 0.15 2
  51 0.5 5
  52 0.4 4
  53 3.8 38
  54 0.28 3
  55 23.8 238
  56 10 100
  57 9 90
  58 0.2 2
  59 0.4 4
  60 0.4 4
  65 0.7 7
  66 0.03 0
  67 3.5 35
  68 16 160
  69 10.2 102
  70 1 10
  71 2.8 28
  72 1.1 11
  73 1.3 13
  74 0.03 0
  75 0.2 2
  76 0.4 4
  77 1 10
  78 0.06 1
  79 0.8 8
  80 0.7 7
  81 1.1 11
  82 0.23 2
  83 3.2 32
  84 6.4 64
  85 3.2 32
  86 0.08 1
  87 2.9 29
  88 0.3 3
  91 1 10
  92 0.03 0
  93 0.5 5
  94 0.8 8
  95 0.8 8
  96 0.84 8
  97 3.8 38
  98 3.7 37
  99 1.2 12
  100 0.13 1
  101 1.4 14
  102 0.3 3
  103 0.2 2
  104 0.02 0
  105 0.5 5
  106 0.3 3
  107 0.3 3
  109 0.02 0
  110 0.8 8
  111 0.8 8
  112 4 40
  113 0.88 9
  114 2.7 27
  115 5.8 58
  116 0.4 4
  117 0.03 0
  118 0.3 3
  119 0.4 4
  120 0.1 1
  121 0.03 0
  122 0.6 6
  123 1 10
  124 1.7 17
  125 0.1 1
  126 2 20
  127 0.5 5
  128 1 10
  129 0.44 4
  130 7 70
  131 0.7 7
  135 1.7 17
  136 0.03 0
  137 0.7 7
  138 0.8 8
  139 0.4 4
  140 0.14 1
  141 2.2 22
  142 99.99 999
  143 91 910
  144 0.64 6
  145 0.8 8
  146 0.1 1
  147 0.1 1
  148 0.03 0
  149 1.7 17
  150 0.2 2
  151 0.2 2
  152 0.04 0
  153 0.4 4
  154 1 10
  155 0.6 6
  156 2.58 26
  157 5.4 54
  158 1 10
  159 0.2 2
  161 0.01 0
  162 0.2 2
  163 0.6 6
  164 0.3 3
  165 0.03 0
  166 0.6 6
  167 0.6 6
  168 1.6 16
  169 0.06 1
  170 20.4 204
  171 8 80
  172 1 10
  173 0.03 0
  178 0.3 3
  179 0.2 2
  180 0.3 3
  181 0.03 0
  182 0.5 5
  183 0.2 2
  184 9 90
  185 0.31 3
  186 0.4 4
  187 0.2 2
  190 0.2 2
  191 0.04 0
  192 0.4 4
  193 0.4 4
  194 0.3 3
  195 0.02 0
  196 1.5 15
  197 1.6 16
  198 8 80
  199 0.22 2
  200 0.3 3
  209 0.3 3
  210 1.3 13
  211 0.02 0
  212 6 60
  213 1.6 16
  214 0.5 5
  215 0.02 0
  223 0.2 2
  224 1.1 11
  225 0.6 6
  226 0.6 6
  227 1.6 16
  228 0.2 2
  234 0.6 6
  235 0.02 0
  240 4.6 46
  241 1.4 14
  242 0.1 1
  250 0.02 0
  251 0.3 3
  252 28.2 282
  253 4.6 46
  254 0.36 4
  255 1 10
  256 0.3 3
  259 0.4 4
  267 0.02 0
  268 3.3 33
  269 1.2 12
  270 0.1 1
  278 0.02 0
  279 1.1 11
  280 2.8 28
  281 0.6 6
  282 0.1 1
  283 0.3 3
  284 0.2 2
  296 1.4 14
  297 2.3 23
  298 5.4 54
  299 0.6 6
  300 0.2 2
//
