ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010893
RECORD_TITLE: 4-METHYLPENTYL 4-METHYLPENTANOATE; 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$NAME: 4-METHYLPENTYL 4-METHYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₂
CH$EXACT_MASS: 200.17763
CH$SMILES: CC(C)CCCOC(=O)CCC(C)C
CH$IUPAC: InChI=1S/C12H24O2/c1-10(2)6-5-9-14-12(13)8-7-11(3)4/h10-11H,5-9H2,1-4H3
CH$LINK: INCHIKEY BQOKYGYERMXUDU-UHFFFAOYSA-N

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$SPLASH: splash10-05mo-9100000000-e06c8ca810a82b2ecfeb
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 15.8 158
  29 14.2 142
  39 10.8 108
  41 45.2 452
  42 13 130
  43 99.99 999
  44 2.9 29
  53 2.8 28
  55 20.3 203
  56 65.7 657
  57 14.8 148
  58 1.1 11
  59 1.7 17
  60 1.4 14
  61 1.1 11
  67 1.5 15
  68 1.1 11
  69 27.2 272
  70 4 40
  71 9.9 99
  73 6.1 61
  74 1.4 14
  75 1 10
  81 17.7 177
  82 1.3 13
  83 7.3 73
  84 48.5 485
  85 24.6 246
  86 1.2 12
  87 1.1 11
  97 1.5 15
  99 34.7 347
  100 2.8 28
  101 7.8 78
  115 2 20
  116 3.5 35
  117 48.3 483
  118 3.1 31
  157 5 50
//