MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006836
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006836
RECORD_TITLE: METHYL 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$NAME: METHYL TIGLATE
CH$NAME: METHYL 2-METHYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O2
CH$EXACT_MASS: 114.06808
CH$SMILES: CC=C(C)C(=O)OC
CH$IUPAC: InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
CH$LINK: INCHIKEY
YYJWBYNQJLBIGS-SNAWJCMRSA-N
CH$LINK: COMPTOX
DTXSID30878830
AC$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: splash10-0a7i-9100000000-654c14d45a8ceb8fb418
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 12.91 129
26 3.22 32
27 30.32 303
29 23.88 239
30 1.33 13
31 1.21 12
38 2.37 24
39 24.64 246
41 3.83 38
42 1 10
43 6.21 62
45 1.74 17
50 4.9 49
51 7.3 73
52 2.91 29
53 17.01 170
54 14.53 145
55 99.99 999
56 5.47 55
59 11.95 120
69 1.52 15
71 1.98 20
81 1.5 15
82 10.59 106
83 50.18 502
84 2.46 25
99 12.81 128
114 40.85 409
115 2.48 25
//