ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006523
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL ISOPENTANOATE
CH$NAME: ISOAMYL ISOVALERATE
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-05fu-9000000000-2a19de7644662f7b1eb3
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 12.98 130
  29 13.5 135
  31 1.05 11
  39 10.89 109
  41 33.9 339
  42 13.71 137
  43 48.43 484
  44 1.07 11
  45 1.8 18
  53 1.51 15
  55 29.03 290
  56 3.74 37
  57 37.45 375
  58 1.66 17
  59 1.82 18
  60 3.69 37
  61 1.96 20
  69 5.3 53
  70 99.99 999
  71 29.96 300
  72 1.5 15
  85 55.07 551
  86 2.71 27
  87 3.33 33
  102 1.35 14
  103 13.64 136
  115 2.35 24
  129 2.36 24
  130 1.22 12
//