ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008046
RECORD_TITLE: ACETIC ACID 3-METHOXYBUTYL ESTER; 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$NAME: ACETIC ACID 3-METHOXYBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₃
CH$EXACT_MASS: 146.09429
CH$SMILES: COC(C)CCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY QMYGFTJCQFEDST-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2052106

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9000000000-078219fb4177d7333882
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  29 3.16 32
  31 3.45 35
  41 3.07 31
  43 18.87 189
  45 1.53 15
  55 6.52 65
  56 3.26 33
  58 3.26 33
  59 99.99 999
  60 3.64 36
  61 1.92 19
  71 23.3 233
  72 2.3 23
  73 1.25 13
  85 2.3 23
  86 10.64 106
  87 1.15 12
  108 2.78 28
  116 1.05 11
//