MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000996
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000996
RECORD_TITLE: DL-ALPHA-PHENYLETHYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: DL-ALPHA-PHENYLETHYL ALCOHOL
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-056r-9500000000-61e44f8631f9ac4d265a
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 1.86 19
27 4.87 49
28 3.54 35
29 1.95 20
39 6.38 64
43 34.37 344
45 4.52 45
50 7 70
51 19.49 195
52 4.34 43
53 2.66 27
53.5 9.92 99
63 2.48 25
65 1.51 15
74 2.21 22
75 2.04 20
76 1.77 18
77 39.86 399
78 19.57 196
79 76.97 770
80 4.61 46
91 1.95 20
103 4.34 43
104 4.52 45
105 8.68 87
107 99.99 999
108 7.53 75
121 5.14 51
122 24.8 248
123 2.39 24
//
system version 2.2.6-SNAPSHOT