MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005650
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005650
RECORD_TITLE: 4-METHYL-4-VINYLBUTYROLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYL-4-VINYLBUTYROLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H10O2
CH$EXACT_MASS: 126.06808
CH$SMILES: C=CC(C)(C1)CC(=O)O1
CH$IUPAC: InChI=1S/C7H10O2/c1-3-7(2)4-6(8)9-5-7/h3H,1,4-5H2,2H3
CH$LINK: INCHIKEY
SNUQLXSRLZRCOJ-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-08i3-9200000000-4d766e92ae75088dc532
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
26 3.82 38
27 27.43 274
28 36.11 361
29 4.81 48
39 14.46 145
40 2.06 21
41 17.33 173
42 7.64 76
43 52.38 524
44 3.12 31
53 5.76 58
54 4.42 44
55 64.82 648
56 31.25 313
57 1.86 19
65 3.22 32
66 1.01 10
67 32.42 324
68 1.04 10
69 1 10
70 1.01 10
71 41.88 419
72 1.14 11
81 3.48 35
82 1.3 13
83 24.62 246
98 22.89 229
99 29.44 294
100 1.2 12
111 99.99 999
112 6.72 67
113 1.02 10
126 11.08 111
//