ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007357
RECORD_TITLE: 2-(2-BUTOXYETHOXY)ETHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(2-BUTOXYETHOXY)ETHANOL
CH$NAME: BUTYL CARBITOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O₃
CH$EXACT_MASS: 162.12559
CH$SMILES: CCCCOCCOCCO
CH$IUPAC: InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
CH$LINK: CAS 112-34-5
CH$LINK: INCHIKEY OAYXUHPQHDHDDZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021519

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a6s-9000000000-883ba112448daa1186e7
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 12.18 122
  28 10.01 100
  29 31.1 311
  30 1.53 15
  31 9.91 99
  33 1.59 16
  39 3.85 39
  41 28.65 287
  42 1.96 20
  43 6.49 65
  44 7.71 77
  45 99.99 999
  46 2.45 25
  55 5.57 56
  56 17.75 178
  57 99.17 992
  58 4.28 43
  59 9.18 92
  60 7.04 70
  61 2.94 29
  62 4.1 41
  63 1.65 17
  69 1.22 12
  71 4.59 46
  72 8.63 86
  73 3.91 39
  75 19.59 196
  76 1.16 12
  77 2.33 23
  85 4.59 46
  87 11.51 115
  88 1.89 19
  89 9.67 97
  90 1.53 15
  100 8.39 84
  101 5.14 51
  131 3 30
  132 4.22 42
  144 1.16 12
//