ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010886
RECORD_TITLE: HEXYL PIVALATE; 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$NAME: HEXYL PIVALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCOC(=O)C(C)(C)C
CH$IUPAC: InChI=1S/C11H22O2/c1-5-6-7-8-9-13-10(12)11(2,3)4/h5-9H2,1-4H3
CH$LINK: INCHIKEY RQSINLZXJXXKOH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9042045

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$SPLASH: splash10-0a4l-9100000000-1bf7cda0d10a9e22fa0d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 7.5 75
  29 16.6 166
  39 7.5 75
  41 32.9 329
  42 9.1 91
  43 32.1 321
  55 8.5 85
  56 20.9 209
  57 99.99 999
  58 4.7 47
  59 3.5 35
  69 4.5 45
  70 1.5 15
  71 1.2 12
  83 1.3 13
  84 15.5 155
  85 19.7 197
  86 1.1 11
  87 2.4 24
  103 41 410
  104 2.1 21
//