ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006524
RECORD_TITLE: 2-METHYLBUTYL ISOPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-METHYLBUTYL ISOPENTANOATE
CH$NAME: 2-METHYLBUTYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCC(C)COC(=O)CC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3
CH$LINK: INCHIKEY CYGPPWVXOWCHJB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041440

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$SPLASH: splash10-05g3-9000000000-6b51e5b4b6359271157d
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 15.15 152
  29 21.03 210
  31 1.23 12
  39 12.52 125
  41 37.46 375
  42 15.08 151
  43 42.7 427
  45 2.47 25
  53 1.73 17
  55 22.52 225
  56 4.59 46
  57 53.98 540
  58 2.06 21
  59 1.86 19
  60 10.06 101
  61 2.25 23
  69 3.01 30
  70 87.45 875
  71 29.12 291
  72 1.55 16
  85 99.99 999
  86 5.95 60
  87 7.09 71
  101 1.09 11
  102 2.86 29
  103 10.56 106
  115 3.04 30
  130 1.46 15
//