MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011319
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011319
RECORD_TITLE: DL-ALPHA-PHENYLETHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DL-ALPHA-PHENYLETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: CC(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
CH$LINK: INCHIKEY
WAPNOHKVXSQRPX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1020859
AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-056r-9700000000-b55daadb4b176fb12df9
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 1.26 13
27 3.48 35
29 1.73 17
38 1.21 12
39 4.98 50
43 25.56 256
45 3.39 34
50 5.72 57
51 5.72 57
52 3.87 39
53 8.6 86
60 1.13 11
63 2.31 23
65 1.42 14
74 1.94 19
75 1.4 14
76 1.48 15
77 35.21 352
78 17.01 170
79 70.78 708
80 4.87 49
91 1.99 20
103 3.39 34
104 2.39 24
105 9.4 94
106 1.46 15
107 99.99 999
108 7.81 78
121 6.44 64
122 45.57 456
123 4.04 40
//