ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006535
RECORD_TITLE: ETHYL 4-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$NAME: ETHYL 4-METHYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCOC(=O)CCC(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY OFQRUTMGVBMTFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6067094

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$SPLASH: splash10-0f9g-9100000000-4bbceed47a2856975b25
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  15 2.88 29
  26 4.39 44
  27 29.75 298
  29 51.13 511
  30 2.98 30
  31 4.13 41
  38 1.15 12
  39 15.64 156
  41 34.16 342
  42 9.57 96
  43 75.57 756
  44 1.55 16
  45 16.85 169
  50 1.03 10
  51 1.7 17
  53 4.23 42
  54 2.42 24
  55 32.9 329
  56 11.92 119
  57 16.65 167
  58 1.71 17
  59 7.2 72
  60 25.64 256
  61 17.15 172
  67 1.06 11
  69 7.45 75
  70 16.46 165
  71 16.17 162
  73 29.85 299
  74 18.13 181
  75 5.67 57
  81 23.65 237
  82 2.84 28
  83 11.66 117
  84 1.21 12
  87 3.66 37
  88 99.99 999
  89 5.69 57
  97 2.85 29
  98 1.54 15
  99 56.73 567
  100 4.07 41
  101 72.06 721
  102 6.13 61
  115 9.6 96
  116 1.6 16
  117 3.86 39
  129 2.76 28
//