ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003697
RECORD_TITLE: ETHYL 2-HYDROXYVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2-HYDROXYVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₃
CH$EXACT_MASS: 146.09429
CH$SMILES: CCCC(O)C(=O)OCC
CH$IUPAC: InChI=1S/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3
CH$LINK: INCHIKEY MQGTZMCASHTGBJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80936595

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-054o-9000000000-a3e9b619a113443db987
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  13 0.5 5
  14 5 50
  15 10 100
  16 0.08 1
  17 5.3 53
  18 24.4 244
  19 1.4 14
  20 0.01 0
  24 0.1 1
  25 0.4 4
  26 5.2 52
  27 2.69 27
  28 39 390
  29 45.6 456
  30 1.4 14
  31 2.37 24
  32 5.6 56
  33 0.1 1
  36 0.1 1
  37 0.08 1
  38 0.9 9
  39 9.2 92
  40 2.5 25
  41 2.78 28
  42 16.9 169
  43 99.99 999
  44 4.1 41
  45 2.74 27
  46 2 20
  47 5.3 53
  49 0.5 5
  50 0.03 0
  51 0.4 4
  52 0.1 1
  53 0.6 6
  54 0.04 0
  55 4.9 49
  56 20.2 202
  57 5.8 58
  58 0.59 6
  59 45.8 458
  60 13.4 134
  61 9.8 98
  62 0.02 0
  63 0.1 1
  64 0.2 2
  69 0.3 3
  70 0.46 5
  71 1.6 16
  72 0.5 5
  73 32.2 322
  74 0.16 2
  75 12 120
  76 0.6 6
  77 0.2 2
  81 0.02 0
  82 0.4 4
  83 1.4 14
  84 0.1 1
  85 3.38 34
  86 1.6 16
  87 1.4 14
  88 25.3 253
  89 0.28 3
  90 0.1 1
  91 0.1 1
  98 0.1 1
  99 0.13 1
  100 2.9 29
  101 4.5 45
  102 1.1 11
  103 0.57 6
  104 0.4 4
  115 0.1 1
  116 0.1 1
  117 0.23 2
  118 0.1 1
  119 0.1 1
  128 0.5 5
  129 0.01 0
  131 12.5 125
  132 0.8 8
  133 0.1 1
  145 0.4 4
//