ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004162
RECORD_TITLE: N-HEXYL-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$NAME: N-HEXYL-3-METHYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₁NO
CH$EXACT_MASS: 183.16231
CH$SMILES: CCCCCCN(C1)C(=O)C(C)C1
CH$IUPAC: InChI=1S/C11H21NO/c1-3-4-5-6-8-12-9-7-10(2)11(12)13/h10H,3-9H2,1-2H3
CH$LINK: INCHIKEY MGAPDRUAYAADPG-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$SPLASH: splash10-03du-9800000000-29da6ddd11524c2f0e23
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  26 1 10
  27 10.6 106
  28 9.2 92
  29 1.42 14
  30 7 70
  31 0.3 3
  32 0.1 1
  37 0.01 0
  38 0.3 3
  39 7 70
  40 1.6 16
  41 2.4 24
  42 26 260
  43 10.6 106
  44 3.2 32
  45 0.02 0
  50 0.1 1
  51 0.3 3
  52 0.3 3
  53 0.26 3
  54 2.8 28
  55 20.6 206
  56 14 140
  57 0.35 4
  58 0.8 8
  59 0.1 1
  66 0.3 3
  67 0.01 0
  68 2.3 23
  69 2.2 22
  70 2.3 23
  71 0.31 3
  72 0.8 8
  73 0.5 5
  74 0.2 2
  78 0.01 0
  79 0.1 1
  80 0.4 4
  81 0.6 6
  82 0.05 1
  83 2.8 28
  84 2.9 29
  85 78 780
  86 0.54 5
  87 0.4 4
  88 0.1 1
  93 0.1 1
  94 0.03 0
  95 0.1 1
  96 0.7 7
  97 0.5 5
  98 0.68 7
  99 2.2 22
  100 6.8 68
  101 0.4 4
  109 0.03 0
  110 0.7 7
  111 1 10
  112 99.99 999
  113 6.4 64
  114 4.6 46
  115 0.2 2
  124 0.3 3
  125 0.02 0
  126 17.4 174
  127 5.2 52
  128 0.6 6
  138 0.05 1
  139 0.2 2
  140 24 240
  141 8 80
  142 0.1 1
  143 0.1 1
  152 0.2 2
  153 0.1 1
  154 0.66 7
  155 1.3 13
  156 0.1 1
  166 0.3 3
  167 0.01 0
  168 2 20
  169 0.4 4
  181 0.1 1
  182 0.16 2
  183 28.8 288
  184 5.8 58
  185 0.6 6
//