ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004192
RECORD_TITLE: 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$NAME: N-DODECYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₁NO
CH$EXACT_MASS: 253.24056
CH$SMILES: CCCCCCCCCCCCN(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h2-15H2,1H3
CH$LINK: INCHIKEY NJPQAIBZIHNJDO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4042206

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$SPLASH: splash10-0002-9210000000-ad51af7b9ad82e49d365
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
  26 0.2 2
  27 2.6 26
  28 6 60
  29 0.6 6
  30 1.8 18
  31 0.2 2
  32 0.3 3
  39 0.24 2
  40 0.4 4
  41 19.4 194
  42 6.2 62
  43 1.4 14
  44 3.2 32
  45 0.3 3
  52 0.1 1
  53 0.09 1
  54 1.2 12
  55 8.4 84
  56 3.1 31
  57 0.38 4
  58 0.7 7
  59 0.1 1
  65 0.2 2
  66 0.01 0
  67 1.1 11
  68 2.4 24
  69 9.4 94
  70 1.64 16
  71 2.2 22
  72 0.2 2
  73 0.1 1
  77 0.02 0
  78 0.2 2
  79 0.2 2
  80 0.2 2
  81 0.06 1
  82 0.5 5
  83 1 10
  84 2.6 26
  85 0.08 1
  86 8.4 84
  87 0.4 4
  91 0.2 2
  92 0.01 0
  93 0.2 2
  94 0.2 2
  95 0.2 2
  96 0.05 1
  97 0.8 8
  98 99.99 999
  99 73 730
  100 0.5 5
  101 0.4 4
  102 0.1 1
  105 0.1 1
  106 0.01 0
  107 0.1 1
  108 0.1 1
  109 0.2 2
  110 0.02 0
  111 0.2 2
  112 17.6 176
  113 7.4 74
  114 0.05 1
  115 0.1 1
  116 0.1 1
  124 0.9 9
  125 0.02 0
  126 17 170
  127 5.8 58
  128 0.4 4
  129 0.01 0
  138 0.3 3
  139 0.1 1
  140 8 80
  141 0.29 3
  142 0.2 2
  149 0.7 7
  150 0.2 2
  151 0.01 0
  152 0.2 2
  153 0.1 1
  154 4.6 46
  155 0.2 2
  156 0.2 2
  157 0.1 1
  166 0.1 1
  167 0.01 0
  168 4.6 46
  169 1.6 16
  170 0.2 2
  180 0.01 0
  181 4 40
  182 1.4 14
  183 0.1 1
  184 0.01 0
  185 0.1 1
  195 0.1 1
  196 3.4 34
  197 0.13 1
  198 0.3 3
  209 0.1 1
  210 2.6 26
  211 0.11 1
  212 0.2 2
  223 0.1 1
  224 2.4 24
  225 0.05 1
  226 0.1 1
  236 1.1 11
  237 0.2 2
  238 0.1 1
  239 0.2 2
  250 0.1 1
  251 0.2 2
  252 0.13 1
  253 27.4 274
  254 5.4 54
  255 0.4 4
//