MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006587
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006587
RECORD_TITLE: PHENYLETHYL ISOPENTYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PHENYLETHYL ISOPENTYL ETHER
CH$NAME: ISOPENTYL PHENETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20O
CH$EXACT_MASS: 192.15142
CH$SMILES: CC(C)CCOCCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
CH$LINK: INCHIKEY
BHQBQWOZHYUVTL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3052220
AC$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: splash10-0006-9200000000-96a5ee8af514cf724658
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
27 10.13 101
28 10.29 103
29 8.5 85
31 1.28 13
39 8.53 85
41 14.78 148
42 3.02 30
43 99.99 999
44 3.24 32
45 7.87 79
50 1.27 13
51 5.4 54
52 1.47 15
53 1.85 19
55 8.14 81
63 1.77 18
65 7.51 75
69 47.67 477
70 7.98 80
71 68.54 685
72 3.46 35
77 12.86 129
78 8.18 82
79 9 90
89 1.49 15
91 28.12 281
92 9.83 98
101 18.7 187
102 1.86 19
103 6.89 69
104 6.06 61
105 36.25 363
106 24.73 247
107 1.75 18
122 4.85 49
192 6.08 61
//