MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009602
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009602
RECORD_TITLE: METHYL PHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: METHYL PHENYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O
CH$EXACT_MASS: 120.05751
CH$SMILES: CC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
CH$LINK: INCHIKEY
KWOLFJPFCHCOCG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021828
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0adi-9700000000-6f2471f8e98524af3f5b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
26 1.1 11
27 3.8 38
29 1.2 12
38 0.31 3
39 8.1 81
42 3.8 38
43 27 270
50 1.73 17
51 39.3 393
52 3.7 37
62 2.7 27
63 0.46 5
65 3 30
74 5.6 56
75 3.3 33
76 0.47 5
77 77.9 779
78 8.4 84
89 1.2 12
91 0.26 3
105 99.99 999
106 7.8 78
120 54.1 541
121 5.1 51
//