ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005301
RECORD_TITLE: ISOPENTYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPENTYL ISOVALERATE
CH$NAME: 3-METHYLBUTANOIC ACID ISOPENTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CC(C)CCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
CH$LINK: INCHIKEY XINCECQTMHSORG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8044757

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00dl-9000000000-85cd3d65446dc9af8115
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 1.26 13
  27 9.87 99
  28 2.22 22
  29 14.3 143
  39 7.21 72
  40 1.14 11
  41 22.6 226
  42 10.76 108
  43 38.48 385
  44 1.14 11
  45 1.64 16
  53 1.14 11
  55 22.4 224
  56 3.16 32
  57 33.93 339
  58 1.39 14
  59 1.77 18
  60 5.06 51
  61 2.28 23
  69 3.54 35
  70 99.99 999
  71 28.73 287
  72 1.26 13
  85 56.39 564
  86 3.16 32
  87 3.67 37
  102 2.28 23
  103 11.65 117
  115 2.91 29
  129 1.77 18
  130 1.77 18
  170 0.5 5
//