ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003872
RECORD_TITLE: CARBETHYL SALICYLATE; 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$NAME: CARBETHYL SALICYLATE
CH$NAME: BIS(2-ETHOXYCARBONYLPHENYL) CARBONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₈O₇
CH$EXACT_MASS: 358.10525
CH$SMILES: CCOC(=O)c(c2)c(ccc2)OC(=O)Oc(c1)c(ccc1)C(=O)OCC
CH$IUPAC: InChI=1S/C19H18O7/c1-3-23-17(20)13-9-5-7-11-15(13)25-19(22)26-16-12-8-6-10-14(16)18(21)24-4-2/h5-12H,3-4H2,1-2H3
CH$LINK: INCHIKEY QWWLHNFYJSCNGD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50151990

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-00r6-1900000000-d197fea1a998f59f198f
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  27 1.9 19
  28 1.7 17
  30 0.1 1
  38 0.07 1
  39 2.7 27
  40 0.1 1
  41 0.1 1
  43 0.05 1
  44 0.9 9
  45 0.4 4
  50 1.9 19
  51 0.13 1
  53 1.1 11
  57 0.5 5
  58 0.5 5
  62 0.05 1
  63 2.3 23
  64 3.7 37
  65 8.9 89
  66 0.09 1
  69 0.1 1
  70 1.1 11
  75 0.1 1
  76 0.09 1
  77 3.9 39
  78 3.9 39
  79 0.9 9
  82 0.19 2
  85 1.9 19
  91 0.9 9
  92 8.4 84
  93 1.17 12
  94 1.1 11
  103 0.8 8
  104 1.8 18
  105 0.15 2
  107 0.3 3
  109 2.7 27
  110 0.1 1
  112 0.33 3
  113 0.1 1
  116 0.3 3
  119 0.6 6
  120 2.15 22
  121 57.9 579
  122 5.3 53
  123 0.7 7
  130 0.01 0
  132 0.7 7
  133 1.9 19
  137 0.9 9
  138 0.05 1
  139 0.9 9
  140 0.3 3
  147 1 10
  148 0.03 0
  149 1 10
  165 67.9 679
  166 7.9 79
  167 0.15 2
  168 1.1 11
  169 0.3 3
  192 0.1 1
  193 99.99 999
  194 12.8 128
  195 2 20
  196 0.4 4
  197 0.19 2
  198 0.3 3
  314 7.3 73
  315 1.6 16
  316 0.01 0
  358 0.9 9
  359 0.1 1
//