MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009641
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009641
RECORD_TITLE: 4-METHOXYPHENYL METHYL 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$NAME: 4-METHOXYPHENYL METHYL KETONE
CH$NAME: 4-METHOXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: COc(c1)ccc(c1)C(C)=O
CH$IUPAC: InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
CH$LINK: INCHIKEY
NTPLXRHDUXRPNE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2044347
AC$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: splash10-002r-9700000000-e00e43b1125f4e22757a
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
27 2.2 22
28 12.8 128
29 3.2 32
32 0.27 3
38 5.6 56
39 6 60
42 3.2 32
43 3.25 33
50 9.8 98
51 9.6 96
52 3.2 32
53 0.33 3
61 1 10
62 4.6 46
63 21 210
64 2.12 21
65 4.8 48
66 1.7 17
74 3.3 33
75 0.33 3
76 6.7 67
77 39 390
78 7.7 77
79 0.5 5
89 1.4 14
91 2.7 27
92 31 310
93 0.24 2
104 1.5 15
107 16.2 162
108 1.3 13
119 0.1 1
120 1.5 15
121 2.1 21
135 99.99 999
136 0.89 9
150 34.8 348
151 3.7 37
//