ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004133
RECORD_TITLE: 5-METHYL-N-NONYL-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$NAME: 5-METHYL-N-NONYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₇NO
CH$EXACT_MASS: 225.20926
CH$SMILES: CCCCCCCCCN(C(C)1)C(=O)CC1
CH$IUPAC: InChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-12-15-13(2)10-11-14(15)16/h13H,3-12H2,1-2H3
CH$LINK: INCHIKEY XUFUPFVDXQDCNH-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$SPLASH: splash10-03di-5910000000-57e6dee087eaa7fcd7bf
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  27 4 40
  28 5 50
  29 9 90
  30 0.68 7
  39 2.8 28
  40 0.6 6
  41 15 150
  42 0.48 5
  43 8.4 84
  44 4 40
  45 0.4 4
  53 0.14 1
  54 1.6 16
  55 17 170
  56 7.6 76
  57 0.6 6
  58 1.4 14
  67 3 30
  68 1.6 16
  69 0.3 3
  70 2.4 24
  71 2.4 24
  72 0.8 8
  73 0.04 0
  80 0.4 4
  81 0.8 8
  82 3 30
  83 1.1 11
  84 19.4 194
  85 2.4 24
  86 1 10
  94 0.08 1
  95 0.4 4
  96 0.8 8
  97 0.8 8
  98 1.44 14
  99 1.6 16
  100 5.6 56
  101 0.4 4
  110 0.08 1
  111 0.8 8
  112 99.99 999
  113 55 550
  114 0.44 4
  115 0.4 4
  124 0.6 6
  125 0.2 2
  126 1.18 12
  127 3.2 32
  128 0.4 4
  138 0.6 6
  139 0.02 0
  140 16.2 162
  141 3.2 32
  142 0.8 8
  154 0.58 6
  155 1.6 16
  156 3.8 38
  157 0.4 4
  168 0.44 4
  169 1.2 12
  170 0.8 8
  182 2.8 28
  183 0.08 1
  184 0.2 2
  196 4 40
  197 1 10
  198 0.02 0
  208 1 10
  209 0.2 2
  210 17 170
  211 0.24 2
  212 0.2 2
  224 1.2 12
  225 23 230
  226 0.4 4
  227 0.4 4
//