ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006534
RECORD_TITLE: ETHYL 2-METHYLPENTANOATE; 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$NAME: ETHYL 2-METHYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCC(C)C(=O)OCC
CH$IUPAC: InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY HZPKNSYIDSNZKW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047198

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$SPLASH: splash10-0ukc-9300000000-fff4083f113472b3bf87
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  26 1.76 18
  27 13.06 131
  29 24.97 250
  30 1.51 15
  31 1.44 14
  39 6.64 66
  41 19.78 198
  42 6.55 66
  43 59.11 591
  45 5.09 51
  53 1.96 20
  55 9.7 97
  56 5.96 60
  57 2.18 22
  59 1.79 18
  69 3.53 35
  70 3.95 40
  71 48.69 487
  72 3.15 32
  73 6.25 63
  74 47.61 476
  75 4.6 46
  87 9.91 99
  99 25.38 254
  100 2.16 22
  101 5.37 54
  102 99.99 999
  103 5.81 58
  115 12.03 120
  116 1.68 17
  117 2.13 21
  129 1.48 15
//