ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002730
RECORD_TITLE: METHYL TETRADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL TETRADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₂
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY ZAZKJZBWRNNLDS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027019

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-00du-9100000000-573216c9953d23ac1952
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  33 0.3 3
  37 3.5 35
  38 0.7 7
  39 7.8 78
  41 37.1 371
  42 2.5 25
  43 27.9 279
  44 1.73 17
  50 3.3 33
  51 3.7 37
  52 3.9 39
  53 0.16 2
  54 3 30
  55 10.5 105
  57 10.1 101
  58 0.08 1
  59 11.8 118
  60 0.8 8
  67 2.4 24
  68 0.21 2
  69 15.4 154
  71 4.6 46
  73 5.7 57
  74 99.99 999
  75 4.2 42
  77 1 10
  79 4 40
  81 0.15 2
  82 2.8 28
  83 8.2 82
  84 1.9 19
  85 0.33 3
  87 60.9 609
  88 6.7 67
  91 0.1 1
  95 0.21 2
  96 3.6 36
  97 6.4 64
  98 1.5 15
  107 0.03 0
  109 2.9 29
  111 3.7 37
  115 7.3 73
  117 0.01 0
  129 3.8 38
  142 5.6 56
  143 10.2 102
  144 0.06 1
  147 0.3 3
  157 3.3 33
  159 0.2 2
  187 0.02 0
  199 5.8 58
  203 0.9 9
  211 4.5 45
  242 5.5 55
//