ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009249
RECORD_TITLE: METHYL HEPTADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL HEPTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₆O₂
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
CH$LINK: INCHIKEY HUEBIMLTDXKIPR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3061924

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$SPLASH: splash10-059f-9000000000-0e952678e45e6b7f15b7
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 2.5 25
  27 7.9 79
  29 4.2 42
  39 0.46 5
  41 43.7 437
  42 10.2 102
  43 54.8 548
  45 0.16 2
  53 1.8 18
  54 2.2 22
  55 36.4 364
  56 0.67 7
  57 23.2 232
  58 1.1 11
  59 12.5 125
  67 0.31 3
  68 1.5 15
  69 17.3 173
  70 2.9 29
  71 0.52 5
  73 2.8 28
  74 99.99 999
  75 18.7 187
  79 0.11 1
  81 2.6 26
  82 1.2 12
  83 9.5 95
  84 0.27 3
  85 2.8 28
  87 61.7 617
  88 4.8 48
  95 0.16 2
  97 5.4 54
  98 2.2 22
  101 4.6 46
  111 0.21 2
  115 1.6 16
  125 1.2 12
  129 4.4 44
  130 0.11 1
  143 11.7 117
  144 1.3 13
  157 1 10
  185 0.29 3
  199 2.7 27
  241 5 50
  253 3.1 31
  255 0.13 1
  284 10.1 101
  285 1.9 19
//