MassBank Record: JP008046

Home Search Record Index

ACETIC ACID 3-METHOXYBUTYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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: 146.0942900000000008731149137020111083984375
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$LINK: COMPTOX DTXSID2052106
CH$LINK: INCHIKEY QMYGFTJCQFEDST-UHFFFAOYSA-N

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
//