ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004144
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$SPLASH: splash10-0005-9200000000-2f06fba81fd1439d2c1e
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  25 0.3 3
  26 1.9 19
  27 10.6 106
  28 1.6 16
  29 19.8 198
  30 74.4 744
  31 1.8 18
  32 0.26 3
  37 0.4 4
  38 0.6 6
  39 6.8 68
  40 0.26 3
  41 40.4 404
  42 20.1 201
  43 28.8 288
  44 1.3 13
  45 5.4 54
  46 0.2 2
  50 0.1 1
  51 0.02 0
  52 0.1 1
  53 2 20
  54 2.5 25
  55 2.18 22
  56 12 120
  57 7.4 74
  58 1.4 14
  59 0.14 1
  60 0.2 2
  65 0.4 4
  66 0.2 2
  67 0.21 2
  68 3.5 35
  69 11.8 118
  70 19.8 198
  71 0.28 3
  72 3.4 34
  73 0.6 6
  77 0.3 3
  78 0.01 0
  79 0.5 5
  80 0.6 6
  81 0.8 8
  82 0.11 1
  83 2.6 26
  84 3.6 36
  85 2.3 23
  86 1.5 15
  87 1.2 12
  88 0.1 1
  93 0.1 1
  94 0.01 0
  95 0.3 3
  96 1.2 12
  97 2.2 22
  98 99.99 999
  99 77.4 774
  100 6.9 69
  101 0.7 7
  110 0.06 1
  111 1.4 14
  112 22 220
  113 17 170
  114 0.2 2
  115 0.2 2
  122 0.1 1
  123 0.1 1
  124 0.14 1
  125 0.6 6
  126 16.4 164
  127 7 70
  128 0.11 1
  129 0.1 1
  138 0.3 3
  139 0.2 2
  140 1.12 11
  141 3.7 37
  142 1 10
  143 0.1 1
  152 0.02 0
  153 0.1 1
  154 16.4 164
  155 3.7 37
  156 0.08 1
  157 0.1 1
  166 0.2 2
  167 0.1 1
  168 0.68 7
  169 2.1 21
  170 0.4 4
  182 5.3 53
  183 0.17 2
  184 0.7 7
  185 1.4 14
  186 0.6 6
  187 0.01 0
  194 0.2 2
  195 0.1 1
  196 5 50
  197 0.16 2
  198 0.6 6
  208 0.1 1
  209 0.1 1
  210 0.47 5
  211 1.4 14
  212 0.3 3
  223 0.2 2
  224 0.33 3
  225 0.8 8
  226 0.1 1
  236 0.7 7
  237 0.02 0
  238 1.2 12
  239 0.3 3
  251 0.2 2
  252 0.2 2
  253 16.4 164
  254 0.6 6
//