ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006841
RECORD_TITLE: ISOAMYL TIGLATE; 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$NAME: ISOAMYL TIGLATE
CH$NAME: 3-METHYLBUTYL 2-METHYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: CC=C(C)C(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C10H18O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5,8H,6-7H2,1-4H3/b9-5+
CH$LINK: INCHIKEY ZARFDQHJMNVNLE-WEVVVXLNSA-N
CH$LINK: COMPTOX DTXSID40885838

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0aec-9000000000-6ea37b1728a055d696db
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 1.3 13
  27 25.61 256
  29 28.36 284
  32 1.6 16
  39 21.48 215
  41 22.09 221
  42 12.23 122
  43 34.42 344
  44 1 10
  45 1.93 19
  51 2.16 22
  52 1.34 13
  53 10.55 106
  54 8.24 82
  55 99.99 999
  56 6.89 69
  57 2.64 26
  69 3.28 33
  70 90.4 904
  71 9.88 99
  82 3.24 32
  83 89.41 894
  84 5.83 58
  85 3.19 32
  99 1.04 10
  100 7.03 70
  101 42.82 428
  102 2.15 22
//