MassBank Record: JP004299

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: JP004299
RECORD_TITLE: ACETIC ACID 3-METHOXYBUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4l-9000000000-0521874dfc383eea9dda
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 4.56 46
  27 2.99 30
  28 1.64 16
  29 10.83 108
  31 14.19 142
  33 1.64 16
  39 2.61 26
  41 10.46 105
  42 3.58 36
  43 46.9 469
  44 1.87 19
  45 3.44 34
  54 1.12 11
  55 10.46 105
  56 3.66 37
  57 1.49 15
  58 2.99 30
  59 99.99 999
  60 3.29 33
  61 2.09 21
  71 19.57 196
  72 2.09 21
  73 1.49 15
  75 1 10
  85 1.64 16
  86 6.35 64
  87 1 10
  115 1 10
//