MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004746
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004746
RECORD_TITLE: METHYL 5-METHYL-3-KETO-4-HEXENOATE; 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$NAME: METHYL 5-METHYL-3-KETO-4-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12O3
CH$EXACT_MASS: 156.07864
CH$SMILES: COC(=O)CC(=O)C=C(C)C
CH$IUPAC: InChI=1S/C8H12O3/c1-6(2)4-7(9)5-8(10)11-3/h4H,5H2,1-3H3
CH$LINK: INCHIKEY
BRUOTCVCYPVYPM-UHFFFAOYSA-N
AC$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: splash10-001i-9000000000-4c39713ab49ee8855d01
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
41 5.37 54
42 2 20
43 17.29 173
44 6.04 60
50 1.84 18
51 2.71 27
52 1.06 11
53 7.48 75
54 3.18 32
55 56.77 568
56 3.24 32
59 1.84 18
67 2.4 24
69 7.51 75
77 1.17 12
79 1.5 15
81 1.86 19
82 18.15 182
83 99.99 999
84 5.94 59
95 3.62 36
96 13.1 131
98 26.85 269
99 2.12 21
101 2.04 20
123 2.28 23
124 10.93 109
125 2.25 23
141 3.1 31
156 8.28 83
//