ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003108
RECORD_TITLE: CYCLOPENTOLATE; 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$NAME: CYCLOPENTOLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₅NO₃
CH$EXACT_MASS: 291.18344
CH$SMILES: CN(C)CCOC(=O)C(c(c2)cccc2)C(O)(C1)CCC1
CH$IUPAC: InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3
CH$LINK: COMPTOX DTXSID3048528
CH$LINK: INCHIKEY SKYSRIRYMSLOIN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2905

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$SPLASH: splash10-0a4i-9000000000-0f0d4362f3985858a9e0
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  25 0.5 5
  26 6.1 61
  27 13.5 135
  28 2.7 27
  29 6.1 61
  30 10.4 104
  31 1.1 11
  32 0.05 1
  36 0.7 7
  37 1.7 17
  38 3.8 38
  39 1.21 12
  40 3.5 35
  41 14.9 149
  42 20.9 209
  43 0.06 1
  44 8.1 81
  45 2.7 27
  48 0.1 1
  49 0.01 0
  50 3.9 39
  51 4.1 41
  52 1.2 12
  53 0.18 2
  54 1.7 17
  55 27.7 277
  56 14.3 143
  57 0.33 3
  58 99.99 999
  59 4.5 45
  60 0.1 1
  61 0.17 2
  62 4 40
  63 8.3 83
  64 3.3 33
  65 0.45 5
  66 1.2 12
  67 1.2 12
  68 0.8 8
  69 0.02 0
  70 2.5 25
  71 19.6 196
  72 4.1 41
  73 0.05 1
  74 0.8 8
  75 0.8 8
  76 0.3 3
  77 0.01 0
  78 0.8 8
  79 0.8 8
  80 0.1 1
  81 0.01 0
  82 0.7 7
  83 0.6 6
  84 13 130
  85 0.12 1
  86 1.1 11
  87 0.8 8
  88 1.2 12
  89 2.44 24
  90 24.4 244
  91 11.1 111
  92 1.5 15
  93 0.01 0
  101 0.3 3
  102 0.2 2
  103 0.1 1
  115 0.13 1
  116 0.4 4
  117 0.9 9
  118 21.9 219
  119 0.27 3
  120 0.2 2
  121 0.1 1
  127 0.3 3
  128 0.12 1
  129 1.2 12
  130 0.3 3
  131 0.2 2
  136 0.04 0
  141 0.8 8
  142 0.3 3
  143 0.3 3
  144 0.01 0
  152 0.1 1
  153 0.2 2
  154 0.1 1
  155 0.03 0
  156 0.3 3
  157 0.3 3
  158 1.1 11
  159 0.01 0
  162 0.3 3
  163 1.3 13
  164 0.1 1
  184 0.03 0
  207 0.6 6
  208 0.4 4
//