ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007091
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCC(C)C(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3
CH$LINK: INCHIKEY VGIRHYHLQKDEPP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90865387

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$SPLASH: splash10-05fu-9000000000-f126e8948b12ca2028a9
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 14.46 145
  29 26.22 262
  39 10.63 106
  41 37.07 371
  42 10.53 105
  43 51.67 517
  44 1.32 13
  45 1.55 16
  53 1.76 18
  54 1.01 10
  55 32.24 322
  56 7.39 74
  57 72.31 723
  58 2.65 27
  69 4.17 42
  70 99.99 999
  71 26 260
  72 1.17 12
  74 5.47 55
  85 40.69 407
  86 2.1 21
  87 2.77 28
  102 1.91 19
  103 20.53 205
  104 1.01 10
  115 1.82 18
  129 2.22 22
  144 1.14 11
//