MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006840
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006840
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL TIGLATE
CH$NAME: ISOBUTYL 2-METHYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CC=C(C)C(=O)OCC(C)C
CH$IUPAC: InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5+
CH$LINK: INCHIKEY
XDEGQMQKHFPBEW-VMPITWQZSA-N
CH$LINK: COMPTOX
DTXSID90886456
AC$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: splash10-0pc0-9100000000-3aeed03378ccb49d88a8
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
26 1.17 12
27 21.33 213
29 28.68 287
39 19.12 191
41 20.06 201
42 1.36 14
43 4.99 50
45 1.2 12
51 1.77 18
52 1.15 12
53 8.87 89
54 6.02 60
55 66.75 668
56 27.88 279
57 11.43 114
73 1.4 14
82 2.33 23
83 99.99 999
84 5.74 57
85 2.28 23
100 4.93 49
101 54.09 541
102 2.36 24
//