MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006837
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006837
RECORD_TITLE: ETHYL 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$NAME: ETHYL TIGLATE
CH$NAME: ETHYL 2-METHYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O2
CH$EXACT_MASS: 128.08373
CH$SMILES: CCOC(=O)C(C)=CC
CH$IUPAC: InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+
CH$LINK: INCHIKEY
OAPHLAAOJMTMLY-GQCTYLIASA-N
CH$LINK: COMPTOX
DTXSID8047688
AC$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: splash10-0ke9-9100000000-13581cf2a37b7b5cbddf
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 1.71 17
26 3.55 36
27 38.83 388
29 46.54 465
30 1.57 16
38 1.31 13
39 21.93 219
40 1.95 20
41 5.02 50
43 6.32 63
45 5.82 58
50 2.62 26
51 3.99 40
52 2.32 23
53 14.68 147
54 13.61 136
55 99.99 999
56 8.6 86
57 1.2 12
69 1.78 18
73 1.13 11
82 12.65 127
83 76.9 769
84 4.65 47
85 10.68 107
99 1.81 18
100 22.87 229
101 1.3 13
113 20 200
114 1.11 11
128 16.05 161
129 1.31 13
//