ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004166
RECORD_TITLE: N-(CYCLOHEXYLCARBAMOYL)-2-RYRROLIDONE; 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$NAME: N-(CYCLOHEXYLCARBAMOYL)-2-RYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈N₂O₂
CH$EXACT_MASS: 210.13683
CH$SMILES: O=C(C2)N(CC2)C(=O)NC(C1)CCCC1
CH$IUPAC: InChI=1S/C11H18N2O2/c14-10-7-4-8-13(10)11(15)12-9-5-2-1-3-6-9/h9H,1-8H2,(H,12,15)
CH$LINK: INCHIKEY XTYPRCKTUGBVCB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:85907414

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$SPLASH: splash10-002g-9000000000-354125ae3c1389ca2e79
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
  26 8.8 88
  27 36.6 366
  28 65.6 656
  29 2.06 21
  30 34 340
  31 0.6 6
  32 2.1 21
  35 0.13 1
  36 0.5 5
  37 1.6 16
  38 4 40
  39 3.3 33
  40 15.2 152
  41 99.99 999
  42 54.6 546
  43 1.9 19
  44 4.7 47
  45 0.2 2
  46 0.5 5
  47 0.31 3
  48 1.4 14
  49 1.2 12
  50 2 20
  51 0.35 4
  52 4.4 44
  53 9.6 96
  54 35.8 358
  55 3.04 30
  56 69.8 698
  57 6.7 67
  58 1.7 17
  59 0.03 0
  60 0.2 2
  61 0.3 3
  62 0.5 5
  63 0.06 1
  64 0.6 6
  65 1.9 19
  66 2.1 21
  67 6.26 63
  68 12.4 124
  69 43 430
  70 9 90
  71 0.13 1
  72 0.3 3
  73 0.2 2
  74 0.2 2
  75 0.03 0
  76 0.2 2
  77 1.9 19
  78 1 10
  79 0.38 4
  80 4.8 48
  81 9 90
  82 55 550
  83 1.8 18
  84 19 190
  85 60 600
  86 29 290
  87 0.16 2
  88 0.1 1
  89 0.1 1
  90 0.4 4
  91 0.03 0
  92 0.2 2
  93 0.2 2
  94 0.2 2
  95 0.05 1
  96 13.4 134
  97 51.4 514
  98 59 590
  99 0.54 5
  100 0.6 6
  108 0.5 5
  109 0.2 2
  110 0.23 2
  111 0.6 6
  112 15 150
  113 0.9 9
  114 0.02 0
  118 0.4 4
  119 0.2 2
  120 0.3 3
  124 0.9 9
  125 11 110
  126 2 20
  127 0.3 3
  128 0.13 1
  129 34 340
  130 2.2 22
  131 0.2 2
  138 0.05 1
  139 0.2 2
  140 0.2 2
  141 1.9 19
  142 0.08 1
  143 0.4 4
  144 0.1 1
  153 0.4 4
  154 0.16 2
  155 0.4 4
  156 0.1 1
  166 0.1 1
  167 3.58 36
  168 3.9 39
  169 0.4 4
  170 0.1 1
  171 0.03 0
  172 0.1 1
  180 0.1 1
  181 1.6 16
  182 0.03 0
  209 0.3 3
  210 8.4 84
  211 1.6 16
  212 0.03 0
  213 0.1 1
//