ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004135
RECORD_TITLE: N-DODECYL-3-METHYL-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$NAME: N-DODECYL-3-METHYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₃NO
CH$EXACT_MASS: 267.25621
CH$SMILES: CCCCCCCCCCCCN(C1)C(=O)C(C)C1
CH$IUPAC: InChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16(2)17(18)19/h16H,3-15H2,1-2H3
CH$LINK: INCHIKEY FYOOQDICUASUJZ-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$SPLASH: splash10-03ec-8930000000-05261f01de9c91f57ccc
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  26 0.4 4
  27 4.2 42
  28 7 70
  29 1.1 11
  30 16 160
  31 0.4 4
  32 0.6 6
  39 0.34 3
  40 0.8 8
  41 26 260
  42 16 160
  43 1.74 17
  44 4.4 44
  45 0.8 8
  53 1.2 12
  54 0.14 1
  55 21.4 214
  56 12.8 128
  57 7.4 74
  58 0.1 1
  67 1.6 16
  68 1.2 12
  69 4.2 42
  70 0.28 3
  71 1.4 14
  72 0.6 6
  74 0.8 8
  81 0.06 1
  82 2.4 24
  83 2 20
  84 52 520
  85 0.34 3
  86 2.2 22
  87 2.2 22
  96 0.7 7
  97 0.05 1
  98 4.3 43
  99 1.5 15
  100 11.8 118
  101 0.1 1
  110 0.6 6
  111 0.6 6
  112 99.99 999
  113 9.04 90
  114 7 70
  115 0.6 6
  124 0.4 4
  125 0.03 0
  126 20.6 206
  127 7.8 78
  128 1.4 14
  138 0.06 1
  139 0.2 2
  140 21.6 216
  141 8.8 88
  142 0.15 2
  154 9.8 98
  155 4 40
  156 0.6 6
  168 0.64 6
  169 1.8 18
  170 0.6 6
  182 4.4 44
  183 0.12 1
  184 0.6 6
  185 0.4 4
  196 5.2 52
  197 0.12 1
  198 0.4 4
  210 3.8 38
  211 1.4 14
  212 0.16 2
  213 0.2 2
  224 3 30
  225 2.4 24
  226 0.04 0
  238 2.8 28
  239 0.6 6
  240 0.2 2
  241 0.1 1
  242 0.2 2
  250 0.3 3
  252 1.4 14
  253 0.04 0
  266 1.8 18
  267 49 490
  268 9 90
  269 1 10
//