ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007090
RECORD_TITLE: PENTYL 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$NAME: PENTYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCOC(=O)C(C)CC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY RHNBXPIJLXBHMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50867443

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$SPLASH: splash10-0kfx-9100000000-977abe58a768150e0a15
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  26 1.54 15
  27 21.81 218
  29 47.54 475
  30 1.04 10
  31 1.53 15
  39 14.24 142
  41 52.65 527
  42 25.22 252
  43 64.49 645
  44 1.99 20
  45 1.75 18
  53 2.16 22
  54 1 10
  55 25.17 252
  56 10.46 105
  57 99.99 999
  58 4.8 48
  69 6.37 64
  70 53.4 534
  71 12.67 127
  73 2.01 20
  74 23.3 233
  75 2.26 23
  85 63.42 634
  86 3.13 31
  87 9.81 98
  102 5.23 52
  103 98.42 984
  104 5.92 59
  115 4.29 43
  144 3.86 39
//