ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005975
RECORD_TITLE: ISOBUTYL ACRYLATE; CI-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$NAME: ISOBUTYL ACRYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₂
CH$EXACT_MASS: 128.08373
CH$SMILES: C=CC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
CH$LINK: INCHIKEY CFVWNXQPGQOHRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021873

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-00di-9000000000-a1986bbf02a3db69ff1c
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  67 3.54 35
  69 11.63 116
  70 7.39 74
  71 3.11 31
  74 99.99 999
  82 2.28 23
  85 35.77 358
  129 3.94 39
//