ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001858
RECORD_TITLE: METHYL 2-METHYLHEXADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-METHYLHEXADECANOATE
CH$NAME: METHYL ALPHA-METHYLPALMITATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₆O₂
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCCCCCC(C)C(=O)OC
CH$IUPAC: InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20-3/h17H,4-16H2,1-3H3
CH$LINK: INCHIKEY OAMQXAKDCJRWHE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30947792

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-000i-9200000000-798360131a8c372204c5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  54 1.1 11
  55 18.6 186
  56 5.3 53
  57 19.6 196
  59 7.8 78
  67 1.5 15
  69 10.5 105
  70 2.4 24
  71 4.9 49
  73 1.6 16
  74 1 10
  83 4.7 47
  85 2.1 21
  87 3.7 37
  88 99.99 999
  89 4.3 43
  97 2.3 23
  98 1.9 19
  101 32.8 328
  102 2.4 24
  115 2 20
  129 1 10
  143 4.4 44
  157 4.1 41
  171 1.6 16
  185 1.4 14
  199 1.5 15
  213 1.3 13
  227 2.8 28
  241 1.6 16
  284 3 30
  285 0.7 7
//