ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006546
RECORD_TITLE: METHYL LAURATE; 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$NAME: METHYL LAURATE
CH$NAME: METHYL DODECANOATE
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00dr-9000000000-723488a082665605b1e8
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 3.88 39
  27 7.56 76
  29 13.03 130
  39 5.31 53
  41 25.76 258
  42 6.19 62
  43 23.69 237
  45 1.24 12
  53 1.53 15
  54 1.49 15
  55 20.28 203
  56 3.97 40
  57 9.43 94
  59 9.75 98
  67 1.7 17
  69 9.27 93
  70 1.55 16
  71 2.21 22
  73 1.55 16
  74 99.99 999
  75 12.07 121
  83 4.51 45
  84 2.21 22
  85 1.32 13
  87 55 550
  88 5.17 52
  97 3.08 31
  98 1.78 18
  101 4.19 42
  115 2.05 21
  129 4.38 44
  143 7.71 77
  157 1.02 10
  171 5.75 58
  183 5.19 52
  185 1.78 18
  214 4.14 41
//