ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004163
RECORD_TITLE: 3-METHYL-N-OCTYL-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$NAME: 3-METHYL-N-OCTYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H25NO
CH$EXACT_MASS: 211.19361
CH$SMILES: CCCCCCCCN(C1)C(=O)C(C)C1
CH$IUPAC: InChI=1S/C13H25NO/c1-3-4-5-6-7-8-10-14-11-9-12(2)13(14)15/h12H,3-11H2,1-2H3
CH$LINK: INCHIKEY RSLRMPBMJSZJKJ-UHFFFAOYSA-N
AC$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-4900000000-c86ed3390920159408e0
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  38 0.2 2
  39 6.8 68
  40 1.3 13
  41 2.8 28
  42 25 250
  43 11.2 112
  44 3.5 35
  45 0.02 0
  50 0.1 1
  51 0.3 3
  52 0.3 3
  53 0.23 2
  54 2.4 24
  55 22.8 228
  56 13.2 132
  57 0.48 5
  58 0.8 8
  66 0.3 3
  67 0.2 2
  68 0.22 2
  69 2 20
  70 4.4 44
  71 3.6 36
  72 0.1 1
  73 0.5 5
  74 0.2 2
  80 0.3 3
  81 0.04 0
  82 0.7 7
  83 2.5 25
  84 2.3 23
  85 6.74 67
  86 5.4 54
  87 0.3 3
  88 0.1 1
  89 0.01 0
  94 0.3 3
  95 0.3 3
  96 0.8 8
  97 0.04 0
  98 7 70
  99 1.7 17
  100 9 90
  101 0.06 1
  108 0.1 1
  109 0.4 4
  110 1 10
  111 0.1 1
  112 99.99 999
  113 82.2 822
  114 5.6 56
  115 0.04 0
  123 0.1 1
  124 0.3 3
  125 0.3 3
  126 2.1 21
  127 8.2 82
  128 0.6 6
  129 0.1 1
  138 0.07 1
  139 0.3 3
  140 24 240
  141 7.4 74
  142 0.1 1
  143 0.1 1
  152 0.2 2
  153 0.1 1
  154 0.88 9
  155 3.4 34
  156 0.6 6
  157 0.1 1
  166 0.01 0
  167 0.1 1
  168 6.6 66
  169 4.2 42
  170 0.04 0
  171 0.2 2
  172 0.1 1
  182 5.8 58
  183 0.1 1
  194 0.3 3
  195 0.1 1
  196 2 20
  197 0.05 1
  198 0.1 1
  209 0.1 1
  210 1.5 15
  211 3.3 33
  212 7.2 72
  213 0.7 7
  214 0.1 1
//
