MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006838
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006838
RECORD_TITLE: ALLYL 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$NAME: ALLYL TIGLATE
CH$NAME: ALLYL 2-METHYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12O2
CH$EXACT_MASS: 140.08373
CH$SMILES: C=CCOC(=O)C(C)=CC
CH$IUPAC: InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5+
CH$LINK: INCHIKEY
ODOZNBUSHKFCSH-FNORWQNLSA-N
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$SPLASH: splash10-0560-9000000000-46f5257796adc2a4b13f
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 1.01 10
26 2.52 25
27 20.91 209
29 19.88 199
38 2.13 21
39 30.92 309
41 28.84 288
42 1.31 13
43 4.96 50
45 1.16 12
50 1.6 16
51 2.83 28
52 1.33 13
53 12.43 124
54 7.42 74
55 92.6 926
56 6.17 62
57 2.04 20
67 1.77 18
69 2.13 21
79 1.93 19
81 2.74 27
82 2.24 22
83 99.99 999
84 6.6 66
94 1.13 11
95 18.5 185
96 1.39 14
97 1.49 15
99 1.08 11
111 1.21 12
112 1.3 13
125 16.3 163
140 7.79 78
//