ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008131
RECORD_TITLE: DODECYL DODECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DODECYL DODECANOATE
CH$NAME: LAURYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₄₈O₂
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCCCCCCCCCOC(=O)CCCCCCCCCCC
CH$IUPAC: InChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY CYUUZGXOQDCCGH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6065684

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0ktf-9220000000-4389552fcb2351f113e1
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  41 43.88 439
  42 13.01 130
  43 78.9 789
  53 2.44 24
  54 5.29 53
  55 47.32 473
  56 26.01 260
  57 69.94 699
  58 4.21 42
  59 1.05 11
  60 8.58 86
  61 16.8 168
  67 6.73 67
  68 11.27 113
  69 38.7 387
  70 23.44 234
  71 35.11 351
  72 2.11 21
  73 15.48 155
  74 1.04 10
  81 5.45 55
  82 15.36 154
  83 36.8 368
  84 20.92 209
  85 20.75 208
  86 1.03 10
  87 5.41 54
  89 1.03 10
  95 4.98 50
  96 9.32 93
  97 28.79 288
  98 18.46 185
  99 3.06 31
  101 4.09 41
  103 1.11 11
  109 2.2 22
  110 4.15 42
  111 19.78 198
  112 9.05 91
  113 1.81 18
  115 4 40
  116 3.28 33
  124 1 10
  125 8.61 86
  126 5.3 53
  127 1.11 11
  129 6.76 68
  138 1.44 14
  139 3.98 40
  140 14.45 145
  141 1.95 20
  143 1.54 15
  157 5.97 60
  168 39.97 400
  169 5.63 56
  171 2.1 21
  183 19.31 193
  184 3 30
  200 17.38 174
  201 99.99 999
  202 14.62 146
  203 1.27 13
  213 4.44 44
  229 1.07 11
  368 5.45 55
  369 2.02 20
//