MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005409
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005409
RECORD_TITLE: MESITYL OXIDE; 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$NAME: MESITYL OXIDE
CH$NAME: 4-METHYL-3-PENTEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O
CH$EXACT_MASS: 98.07316
CH$SMILES: CC(C)=CC(C)=O
CH$IUPAC: InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
CH$LINK: INCHIKEY
SHOJXDKTYKFBRD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1029170
AC$INSTRUMENT: HITACHI RMU-7M
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-9000000000-3661666f8de0c561e186
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
15 6.41 64
26 1.45 15
27 16.91 169
28 2.01 20
29 34.19 342
38 2.51 25
39 23.88 239
40 2.45 25
41 8.17 82
42 3.02 30
43 46.64 466
44 1.38 14
50 2.64 26
51 3.52 35
52 1.32 13
53 10.62 106
54 1.76 18
55 99.99 999
56 5.03 50
79 1.76 18
83 94.59 946
84 5.34 53
98 40.98 410
99 4.34 43
//