MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007220
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007220
RECORD_TITLE: P-CRESYL ETHYL ETHER; 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$NAME: P-CRESYL ETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O
CH$EXACT_MASS: 136.08882
CH$SMILES: CCOc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H12O/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY
WSWPHHNIHLTAHB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7060756
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$SPLASH: splash10-0a4i-6900000000-2b46767681701313373f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
26 2.46 25
27 19.09 191
29 10.51 105
38 1.31 13
39 11.09 111
41 1.36 14
43 1.3 13
50 4.23 42
51 12.44 124
52 7.37 74
53 7.73 77
55 1.12 11
62 1.43 14
63 4.03 40
64 1.26 13
65 9.03 90
77 25.41 254
78 8.47 85
79 15.98 160
80 9.16 92
89 2.34 23
90 8.7 87
91 10.18 102
93 1.06 11
107 75.07 751
108 99.99 999
109 7.26 73
136 55.38 554
137 4.4 44
//
system version 2.2.6-SNAPSHOT