ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001738
RECORD_TITLE: TRIDECANEDIOIC ACID DIBUTYL ESTER; 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$NAME: TRIDECANEDIOIC ACID DIBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₀O₄
CH$EXACT_MASS: 356.29266
CH$SMILES: CCCCOC(=O)CCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C21H40O4/c1-3-5-18-24-20(22)16-14-12-10-8-7-9-11-13-15-17-21(23)25-19-6-4-2/h3-19H2,1-2H3
CH$LINK: INCHIKEY VFGWOKLWEAJYNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10547936

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$SPLASH: splash10-0901-9780000000-28f921cc42ce9f470298
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  40 7.37 74
  43 16.07 161
  56 52.29 523
  57 22.43 224
  60 7.12 71
  61 4.4 44
  69 9.26 93
  71 4.73 47
  73 7.11 71
  81 2.92 29
  83 11.62 116
  84 22.94 229
  85 4.04 40
  87 2.32 23
  95 2.04 20
  96 4.26 43
  97 14.14 141
  98 72.68 727
  99 6.98 70
  101 6.92 69
  109 1.97 20
  110 3.03 30
  111 14.63 146
  112 25.69 257
  113 2.42 24
  115 7.27 73
  116 3.41 34
  123 1.76 18
  124 2.26 23
  125 5.63 56
  126 2.55 26
  129 16.85 169
  134 1.45 15
  135 9.98 100
  137 2.94 29
  138 2.91 29
  139 1.72 17
  141 0.81 8
  142 1.02 10
  143 2.94 29
  149 8.09 81
  150 1 10
  151 1.84 18
  152 7.04 70
  153 32.74 327
  154 3.39 34
  157 2.64 26
  158 1.72 17
  166 6.93 69
  167 8.96 90
  168 7.51 75
  172 5.55 56
  185 11.37 114
  186 2.46 25
  194 8.04 80
  195 5.5 55
  207 0.16 2
  212 2.9 29
  213 75.22 752
  214 12.63 126
  215 0.97 10
  226 2.3 23
  227 38.82 388
  228 6.77 68
  242 6.1 61
  268 1.21 12
  269 99.99 999
  270 17.43 174
  271 1.79 18
//