MassBank Record: JP001319

Home Search Record Index

ACETIC ACID OCTYL ESTER; EI-B; MS

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

ACCESSION: JP001319
RECORD_TITLE: ACETIC ACID OCTYL 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$NAME: OCTYL ACETATE
CH$NAME: ACETIC ACID OCTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.146330000000006066329660825431346893310546875
CH$SMILES: CCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
CH$LINK: COMPTOX DTXSID8044202
CH$LINK: INCHIKEY YLYBTZIQSIBWLI-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$SPLASH: splash10-052f-9000000000-a81fd8b1966f2694f866
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 2.5 25
  27 8 80
  28 2.79 28
  29 13.36 134
  39 5.79 58
  41 30.64 306
  42 20.86 209
  43 99.99 999
  44 2.57 26
  53 1.29 13
  54 2.5 25
  55 35.43 354
  56 42.14 421
  57 14.29 143
  58 2.71 27
  61 25.36 254
  67 2.36 24
  68 6.79 68
  69 28 280
  70 38 380
  71 6.86 69
  73 6.21 62
  82 6.36 64
  83 24.21 242
  84 27 270
  85 1.71 17
  97 2.14 21
  98 2.07 21
  112 7.5 75
  116 1.64 16
//