ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002527
RECORD_TITLE: LAURYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: LAURYL ACETATE
CH$NAME: DODECYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3
CH$LINK: INCHIKEY VZWGRQBCURJOMT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047641

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-04d139932be6849fab99
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  15 4.66 47
  27 10.82 108
  28 3.11 31
  29 25.64 256
  31 1.28 13
  39 6.9 69
  40 1.58 16
  41 48.06 481
  42 17.79 178
  43 99.99 999
  44 3.06 31
  53 2.84 28
  54 7.85 79
  55 56.05 561
  56 46.68 467
  57 38.1 381
  58 2.92 29
  61 48.17 482
  62 1.05 11
  67 7.06 71
  68 16.35 164
  69 47.12 471
  70 39.69 397
  71 14.67 147
  73 5.03 50
  81 3.16 32
  82 20.54 205
  83 42.61 426
  84 26.89 269
  85 7.85 79
  87 1.14 11
  95 1.18 12
  96 7.22 72
  97 28.67 287
  98 16.78 168
  99 1.04 10
  110 2.79 28
  111 15.09 151
  112 8.98 90
  113 1.07 11
  116 5.07 51
  124 1.04 10
  125 6.11 61
  126 4.52 45
  139 2.65 27
  140 11.95 120
  141 1.47 15
  168 13.37 134
  169 2.05 21
//