ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007094
RECORD_TITLE: HEXYL 2-METHYLBUTYRATE; 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$NAME: HEXYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCOC(=O)C(C)CC
CH$IUPAC: InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3
CH$LINK: INCHIKEY YUECNVSODFDKOQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4047599

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$SPLASH: splash10-0pbc-9100000000-1821ad6839ddf9e7fae2
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  26 1.09 11
  27 22.21 222
  29 45.51 455
  31 1.18 12
  39 13.17 132
  41 56.63 566
  42 20.09 201
  43 77.51 775
  44 1.99 20
  45 1.48 15
  53 2.2 22
  54 1.85 19
  56 45.43 454
  57 99.99 999
  58 4.47 45
  69 15.13 151
  70 1.11 11
  73 1.47 15
  74 21.37 214
  75 4.15 42
  83 2.5 25
  84 37.94 379
  85 56.83 568
  86 3.3 33
  87 6.96 70
  99 1.01 10
  102 4.54 45
  103 97.04 970
  104 5.82 58
  115 1.05 11
  129 2.29 23
  158 2.16 22
//