ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003105
RECORD_TITLE: ETHYNAMATE ETHYNYLCYCLOHEXYL CARBAMATE; 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$NAME: ETHYNAMATE ETHYNYLCYCLOHEXYL CARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃NO₂
CH$EXACT_MASS: 167.09463
CH$SMILES: C#CC(C1)(CCCC1)OC(N)=O
CH$IUPAC: InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)
CH$LINK: INCHIKEY GXRZIMHKGDIBEW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023013

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$SPLASH: splash10-054o-9000000000-115ca538c5db7623cd36
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  35 1.5 15
  36 28.3 283
  38 6.1 61
  39 3.02 30
  40 20.2 202
  41 30 300
  42 20 200
  43 7.96 80
  44 41.5 415
  50 14.7 147
  51 31.4 314
  52 2.06 21
  53 24.9 249
  54 20.1 201
  55 40.1 401
  56 0.98 10
  62 2.9 29
  63 10.9 109
  65 28.4 284
  66 0.94 9
  67 55.9 559
  68 29.3 293
  69 13.3 133
  70 0.95 10
  71 6.4 64
  74 1.1 11
  75 2.1 21
  76 0.17 2
  77 39.9 399
  78 50.9 509
  79 49.1 491
  80 2.22 22
  81 54.5 545
  82 14.7 147
  83 8.4 84
  84 0.11 1
  85 1.3 13
  91 99.99 999
  92 7.9 79
  93 1.01 10
  94 5.3 53
  95 35.5 355
  96 14.4 144
  97 0.28 3
  98 1.3 13
  103 5.2 52
  104 0.3 3
  105 1.96 20
  106 42.5 425
  107 6.9 69
  108 5.8 58
  109 1.31 13
  112 1 10
  122 4.6 46
  123 1.5 15
  124 2.3 23
//