MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008610
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008610
RECORD_TITLE: O-METHYLBENZOPHENONE; 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$NAME: O-METHYLBENZOPHENONE
CH$NAME: 2-METHYLBENZOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12O
CH$EXACT_MASS: 196.08882
CH$SMILES: Cc(c2)c(ccc2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3
CH$LINK: INCHIKEY
CKGKXGQVRVAKEA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5059618
AC$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: splash10-0002-6900000000-38e3003e4c9bf2997f9a
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
14 2.97 30
17 2.26 23
18 1.67 17
27 1.87 19
32 3.58 36
39 13.15 132
40 2.1 21
41 4.12 41
50 7.29 73
51 23.2 232
52 1.24 12
62 2.89 29
63 9.31 93
64 1.47 15
65 22.03 220
74 1.13 11
75 2.21 22
76 3.98 40
77 41.8 418
78 3.22 32
89 8.9 89
90 5.24 52
91 38.11 381
92 2.27 23
105 25.25 253
119 27.96 280
120 1.49 15
152 3.75 38
165 7.51 75
166 1.02 10
167 1.18 12
177 3.82 38
178 7.72 77
179 6.31 63
181 5.48 55
194 4.69 47
195 99.99 999
196 67.21 672
197 8.83 88
//
system version 2.2.6-SNAPSHOT