ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003221
RECORD_TITLE: METHYL 2-BUTYLHEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-BUTYLHEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCC(CCCC)C(=O)OC
CH$IUPAC: InChI=1S/C11H22O2/c1-4-6-8-10(9-7-5-2)11(12)13-3/h10H,4-9H2,1-3H3
CH$LINK: INCHIKEY AZTDAGYTELUSHF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50334261

AC$INSTRUMENT: HITACHI RMU-7
AC$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$SPLASH: splash10-053f-9500000000-f01dac540c9be36ea6c3
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  37 18 180
  39 9 90
  41 43 430
  43 43 430
  45 7 70
  53 7 70
  55 56 560
  56 6 60
  57 28 280
  59 20 200
  69 23 230
  70 5 50
  71 21 210
  74 8 80
  83 6 60
  85 11 110
  87 99.99 999
  88 18 180
  96 5 50
  97 11 110
  98 9 90
  100 6 60
  101 52 520
  102 5 50
  129 12 120
  130 88 880
  131 21 210
  132 9 90
  133 5 50
  143 30 300
  155 17 170
  156 5 50
  157 12 120
  186 5 50
//