MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007140
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007140
RECORD_TITLE: P-METHYLACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: P-METHYLACETOPHENONE
CH$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: CAS
122-00-9
CH$LINK: INCHIKEY
GNKZMNRKLCTJAY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9044374
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014l-9600000000-85f57b491dbb01accb9b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 2.81 28
27 2.38 24
38 2.13 21
39 14.46 145
41 2.55 26
42 1.16 12
43 14.44 144
46 1.02 10
50 5.4 54
51 8.31 83
52 1.5 15
53 1.14 11
62 3.56 36
63 11.47 115
64 2.41 24
65 24.41 244
66 1.22 12
74 1.31 13
75 1.12 11
77 2.6 26
89 8.26 83
90 3.36 34
91 75.02 750
92 6.01 60
105 1.25 13
119 99.99 999
120 8.85 89
134 31.66 317
135 2.57 26
//