MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004728
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004728
RECORD_TITLE: METHYL ALPHA-ACETYLDIMETHYLACRYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: METHYL ALPHA-ACETYLDIMETHYLACRYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12O3
CH$EXACT_MASS: 156.07864
CH$SMILES: COC(=O)C(=C(C)C)C(C)=O
CH$IUPAC: InChI=1S/C8H12O3/c1-5(2)7(6(3)9)8(10)11-4/h1-4H3
CH$LINK: INCHIKEY
CDHWLGSCWGPPCT-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-0537-9300000000-341ffe8985e9fe67c24f
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
41 17.21 172
42 2.68 27
43 99.99 999
45 1.61 16
50 1.7 17
51 2.77 28
52 1.61 16
53 7.7 77
54 6.38 64
55 14.75 148
56 1.41 14
59 12.6 126
66 3.94 39
67 42.77 428
68 8.46 85
69 1.72 17
73 12.92 129
81 2.77 28
82 21.4 214
83 52.49 525
84 3.58 36
95 3.58 36
96 88.18 882
97 7.15 72
98 1.29 13
99 5.07 51
109 46.02 460
110 2.99 30
114 2.2 22
123 1.55 16
124 49.35 494
125 29.45 295
126 1.98 20
141 12.38 124
156 31.92 319
157 2.68 27
//
system version 2.2.8-SNAPSHOT