ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002787
RECORD_TITLE: 1-(2-DIETHYLAMINOETHOXYCARBONYL)-1-PHENYLCYCLOPENTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1-(2-DIETHYLAMINOETHOXYCARBONYL)-1-PHENYLCYCLOPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₇NO₂
CH$EXACT_MASS: 289.20418
CH$SMILES: CCN(CC)CCOC(=O)C(C2)(CCC2)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
CH$LINK: INCHIKEY OFAIGZWCDGNZGT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022729

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-9200000000-e8cc4f4a84fe6283a06c
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  38 1.1 11
  39 3.8 38
  40 1.1 11
  41 0.68 7
  42 6.1 61
  43 2.9 29
  44 6 60
  45 0.13 1
  50 1.1 11
  51 1.9 19
  52 1.6 16
  53 0.11 1
  54 1.3 13
  55 1.9 19
  56 8.5 85
  57 0.03 0
  58 9.3 93
  59 1.1 11
  62 0.5 5
  63 0.15 2
  64 0.7 7
  65 1.9 19
  66 1.5 15
  67 0.49 5
  68 1.5 15
  69 1.1 11
  70 2.9 29
  71 0.56 6
  72 2.8 28
  73 5.4 54
  74 1.2 12
  75 0.15 2
  76 1 10
  77 2.8 28
  78 1.7 17
  79 0.13 1
  80 0.1 1
  84 5.1 51
  85 1.3 13
  86 99.99 999
  87 6.4 64
  88 1 10
  89 1.3 13
  90 0.07 1
  91 13.8 138
  92 2 20
  93 0.1 1
  95 0.01 0
  96 0.7 7
  97 1.1 11
  98 1.2 12
  99 1.56 16
  100 4 40
  101 0.7 7
  102 1.8 18
  103 0.25 3
  104 1.8 18
  105 1.5 15
  106 0.1 1
  114 0.08 1
  115 4.7 47
  116 1.9 19
  117 2.1 21
  118 0.08 1
  126 0.3 3
  127 1.1 11
  128 3.8 38
  129 0.41 4
  130 1.3 13
  131 0.1 1
  140 1.9 19
  141 0.15 2
  142 2.5 25
  143 5.2 52
  144 11.1 111
  145 0.02 0
  146 0.2 2
  148 1.5 15
  168 0.1 1
  169 0.08 1
  170 0.8 8
  171 0.5 5
  172 1.1 11
  173 0.05 1
  175 1 10
  190 0.8 8
  191 0.1 1
  217 0.28 3
  218 1.1 11
  219 0.5 5
  246 0.1 1
  247 0.05 1
  274 1.2 12
  275 0.1 1
//