ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010762
RECORD_TITLE: METHYL LAURATE; 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$NAME: METHYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY UQDUPQYQJKYHQI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026889

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$SPLASH: splash10-00di-9100000000-a72fa480b862482b6e87
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  27 5.7 57
  28 1.8 18
  29 13.9 139
  39 0.39 4
  41 22.5 225
  42 4.7 47
  43 21.2 212
  45 0.16 2
  53 1.4 14
  54 1.6 16
  55 17.6 176
  56 0.37 4
  57 10.4 104
  59 5.9 59
  67 2 20
  68 0.1 1
  69 8.2 82
  70 1.8 18
  71 3.5 35
  73 0.2 2
  74 99.99 999
  75 14.5 145
  76 1 10
  81 0.14 1
  83 4.5 45
  84 2.7 27
  85 2.2 22
  87 5.02 50
  89 6.1 61
  95 1.4 14
  97 3.5 35
  98 0.25 3
  101 4.7 47
  111 1.2 12
  115 3.1 31
  116 0.1 1
  129 4.9 49
  140 1.4 14
  143 8.6 86
  144 0.1 1
  157 1.8 18
  171 6.1 61
  172 1.2 12
  183 0.67 7
  184 1 10
  185 1.4 14
  214 12.5 125
  215 2.2 22
//