ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007092
RECORD_TITLE: 2-METHYLBUTYL 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$NAME: 2-METHYLBUTYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCC(C)COC(=O)C(C)CC
CH$IUPAC: InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3
CH$LINK: CAS 2445-78-5
CH$LINK: INCHIKEY PVYFCGRBIREQLL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40862947

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$SPLASH: splash10-0abl-9000000000-82e9fdbb043817d4c2eb
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 1.21 12
  27 18.58 186
  29 38.5 385
  31 1.36 14
  39 13.25 133
  41 43.08 431
  42 12.62 126
  43 52.55 526
  44 1.29 13
  45 2.3 23
  53 1.94 19
  55 27.44 274
  56 9.02 90
  57 99.99 999
  58 4.44 44
  69 2.97 30
  70 93.9 939
  71 27.86 279
  72 1.18 12
  73 1.07 11
  74 10.06 101
  85 81.75 818
  86 4.74 47
  87 4.94 49
  102 2.98 30
  103 16.64 166
  115 3.25 33
  144 2.33 23
//