ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006470
RECORD_TITLE: DODECYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DODECYL FORMATE
CH$NAME: FORMIC ACID DODECYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCCCCCOC=O
CH$IUPAC: InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h13H,2-12H2,1H3
CH$LINK: INCHIKEY WPSGFSPBRBRLIQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40182556

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$SPLASH: splash10-0a4l-9000000000-59a4e02c212bba8aa54a
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  27 24.3 243
  28 6.9 69
  29 54.34 543
  30 1.52 15
  31 36.29 363
  39 17.69 177
  40 3.91 39
  41 95.37 954
  42 32.3 323
  43 92.55 926
  44 3.37 34
  45 2.09 21
  47 2.69 27
  53 5.42 54
  54 11.81 118
  55 99.99 999
  56 70.26 703
  57 55.62 556
  58 2.18 22
  59 1.21 12
  66 1.3 13
  67 10.77 108
  68 26.35 264
  69 74.25 743
  70 53.87 539
  71 18.44 184
  79 1.18 12
  81 4.68 47
  82 26.88 269
  83 59.91 599
  84 31.06 311
  85 7.38 74
  95 1.04 10
  96 7.74 77
  97 34.99 350
  98 18.71 187
  99 1.76 18
  110 2.32 23
  111 17.16 172
  112 7.59 76
  113 1.12 11
  125 5.4 54
  126 3.63 36
  139 1.47 15
  140 9.55 96
  141 1.01 10
  168 4.49 45
//