ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004137
RECORD_TITLE: 5-METHYL-N-UNDECYL-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$NAME: 5-METHYL-N-UNDECYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₁NO
CH$EXACT_MASS: 253.24056
CH$SMILES: CCCCCCCCCCCN(C(C)1)C(=O)CC1
CH$IUPAC: InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-14-17-15(2)12-13-16(17)18/h15H,3-14H2,1-2H3
CH$LINK: INCHIKEY CZANSEAJYFFNSZ-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$SPLASH: splash10-03di-6920000000-b56d0df5f4885e01e41b
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
  27 3.3 33
  28 3 30
  29 8.4 84
  30 0.34 3
  39 2.2 22
  40 0.5 5
  41 15 150
  42 0.46 5
  43 10.4 104
  44 2.6 26
  45 0.2 2
  53 0.14 1
  54 1.4 14
  55 16.6 166
  56 6.4 64
  57 0.64 6
  58 1.2 12
  67 2.6 26
  68 2.4 24
  69 0.34 3
  70 2.5 25
  71 1.6 16
  72 0.4 4
  73 0.03 0
  79 0.4 4
  80 0.3 3
  81 0.6 6
  82 0.3 3
  83 10.4 104
  84 16.4 164
  85 1.8 18
  86 0.06 1
  94 0.8 8
  95 0.4 4
  96 0.7 7
  97 0.12 1
  98 13.4 134
  99 1.6 16
  100 5.4 54
  101 0.04 0
  110 1 10
  111 1 10
  112 99.99 999
  113 6.18 62
  114 4.6 46
  115 0.3 3
  124 0.6 6
  125 0.02 0
  126 12.8 128
  127 3.3 33
  128 0.3 3
  138 0.1 1
  139 0.2 2
  140 16.4 164
  141 4 40
  142 0.04 0
  152 0.4 4
  153 0.2 2
  154 6.6 66
  155 0.2 2
  156 0.3 3
  166 0.3 3
  167 0.2 2
  168 0.48 5
  169 1.6 16
  170 0.3 3
  180 0.2 2
  181 0.01 0
  182 3.7 37
  183 1.2 12
  184 0.4 4
  185 0.02 0
  194 0.2 2
  195 0.1 1
  196 4 40
  197 0.1 1
  198 0.5 5
  210 2.8 28
  211 1 10
  212 0.01 0
  213 0.1 1
  224 2.5 25
  225 0.8 8
  226 0.01 0
  236 1.3 13
  237 0.3 3
  238 17.6 176
  239 0.33 3
  240 0.3 3
  252 1.6 16
  253 25 250
  254 0.54 5
  255 0.6 6
//