MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002315
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002315
RECORD_TITLE: PARA-METHOXYPHENYLACETONE; 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$NAME: PARA-METHOXYPHENYLACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: COc(c1)ccc(CC(C)=O)c1
CH$IUPAC: InChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY
WFWKNGZODAOLEO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9059545
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$SPLASH: splash10-00di-4900000000-19395666ea4a7facf293
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
50 1.43 14
51 3.8 38
52 2.52 25
53 1.47 15
55 2.27 23
57 4.02 40
58 1.97 20
59 2.05 21
60 2.07 21
63 1.73 17
65 2.33 23
67 1.34 13
69 1.03 10
73 2.27 23
74 1.49 15
75 1.44 14
77 8.38 84
78 6.58 66
79 1.44 14
81 1.61 16
89 1.76 18
90 1.16 12
91 6 60
92 1 10
105 1.51 15
106 1.28 13
107 1.44 14
121 99.99 999
122 10.26 103
135 2.36 24
145 1.08 11
164 13.35 134
165 1.46 15
//