MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009649
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009649
RECORD_TITLE: METHYL 4-METHYLPHENYL 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$NAME: METHYL 4-METHYLPHENYL KETONE
CH$NAME: 4-METHYLACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.07316
CH$SMILES: Cc(c1)ccc(c1)C(C)=O
CH$IUPAC: InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
CH$LINK: INCHIKEY
GNKZMNRKLCTJAY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9044374
AC$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: splash10-014l-7900000000-8e83cde453c9bb1a2691
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 2 20
28 5 50
32 1.1 11
38 0.17 2
39 11 110
41 2 20
42 1 10
43 1 10
50 3.7 37
51 6 60
52 1.3 13
62 0.36 4
63 9 90
64 2.5 25
65 20.4 204
66 0.14 1
74 1.3 13
75 1 10
77 3.2 32
79 0.1 1
89 8 80
90 4 40
91 60.6 606
92 0.53 5
103 1 10
105 1.7 17
119 99.99 999
120 0.8 8
134 56.2 562
135 5.8 58
//
system version 2.2.8-SNAPSHOT