MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005390
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005390
RECORD_TITLE: CINNAMYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: CINNAMYL ALCOHOL
CH$NAME: 3-PHENYL-2-PROPEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.07316
CH$SMILES: OCC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
CH$LINK: INCHIKEY
OOCCDEMITAIZTP-QPJJXVBHSA-N
AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-05qc-9700000000-718fd9691cbd38d42c60
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
40 5.9 59
41 30.3 303
42 2.9 29
43 0.4 4
44 9.7 97
45 4 40
46 14.8 148
50 0.11 1
51 18.2 182
52 41.7 417
53 9.7 97
54 0.52 5
55 27.3 273
56 5.8 58
57 6.3 63
58 0.28 3
59 2.2 22
61 2.1 21
63 6.5 65
64 1.75 18
65 12.5 125
66 3.5 35
73 3.1 31
74 0.6 6
75 5.5 55
76 6.2 62
77 45.3 453
78 5.41 54
79 27.9 279
80 1.9 19
86 2 20
87 0.33 3
88 1.3 13
89 10.9 109
91 68.2 682
92 8.92 89
93 7.1 71
101 1.8 18
102 10.1 101
103 3 30
104 6.5 65
105 57.3 573
106 7.5 75
107 0.35 4
115 65.7 657
116 22.8 228
117 13.2 132
118 0.26 3
119 1.9 19
131 6.4 64
132 5 50
133 2.95 30
134 99.99 999
135 10.4 104
147 1 10
//