ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004182
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$SPLASH: splash10-03di-4920000000-3c4c0506a6ae7ca9b190
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  26 0.3 3
  27 3.3 33
  28 4.1 41
  29 1 10
  30 3.4 34
  31 0.2 2
  32 0.3 3
  39 0.33 3
  40 0.5 5
  41 19 190
  42 5.1 51
  43 1.4 14
  44 3.5 35
  51 0.3 3
  53 1.3 13
  54 0.15 2
  55 21 210
  56 7.8 78
  57 7.4 74
  58 0.14 1
  59 0.2 2
  60 0.2 2
  65 0.2 2
  66 0.03 0
  67 3.4 34
  68 1.9 19
  69 5.5 55
  70 0.28 3
  71 2.3 23
  72 0.7 7
  79 0.3 3
  80 0.02 0
  81 0.6 6
  82 2.8 28
  83 11 110
  84 1.76 18
  85 2.4 24
  86 0.6 6
  93 0.2 2
  94 0.11 1
  95 0.3 3
  96 0.6 6
  97 1.2 12
  98 1.5 15
  99 1.4 14
  100 5 50
  101 0.4 4
  110 0.09 1
  111 0.9 9
  112 99.99 999
  113 66 660
  114 0.52 5
  115 0.3 3
  119 0.8 8
  124 0.6 6
  126 1.38 14
  127 3.3 33
  128 0.5 5
  129 0.1 1
  131 0.11 1
  138 1.1 11
  139 0.2 2
  140 18.4 184
  141 0.41 4
  142 0.3 3
  152 0.5 5
  153 0.1 1
  154 0.7 7
  155 1.6 16
  156 0.2 2
  166 0.7 7
  167 0.02 0
  168 4 40
  169 1.7 17
  170 0.3 3
  180 0.02 0
  181 0.5 5
  182 3.7 37
  183 1.2 12
  184 0.02 0
  193 0.1 1
  194 0.3 3
  195 0.1 1
  196 0.37 4
  197 1.2 12
  198 0.5 5
  199 0.1 1
  209 0.02 0
  210 1 10
  211 0.1 1
  212 0.1 1
  224 0.27 3
  225 0.8 8
  226 0.2 2
  236 1.8 18
  237 0.02 0
  238 19.8 198
  239 3.1 31
  240 0.3 3
  251 0.02 0
  252 2.1 21
  253 28 280
  254 6 60
  255 0.09 1
  256 0.1 1
//