MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005329
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005329
RECORD_TITLE: ALPHA-TERPINEOL; 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$NAME: ALPHA-TERPINEOL
CH$NAME: P-MENTH-1-EN-8-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C1)=C([H])CC([H])(C1)C(C)(C)O
CH$IUPAC: InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1
CH$LINK: INCHIKEY
WUOACPNHFRMFPN-SECBINFHSA-N
CH$LINK: COMPTOX
DTXSID5052672
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-052f-9200000000-b00b2a6ddf8692ac7554
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
15 1.7 17
27 8.06 81
28 1.07 11
29 5.99 60
31 8.06 81
39 10.29 103
40 2.42 24
41 17.37 174
42 1.43 14
43 34.13 341
45 1.97 20
51 2.59 26
52 1.34 13
53 7.97 80
54 4.92 49
55 12.63 126
57 1.07 11
58 1.07 11
59 99.99 999
60 3.31 33
65 2.95 30
66 1.43 14
67 14.86 149
68 14.96 150
69 3.58 36
71 7.79 78
77 7.07 71
78 1.61 16
79 10.74 107
80 5.55 56
81 31.13 311
82 2.33 23
91 5.46 55
92 15.22 152
93 51.34 513
94 7.43 74
95 13.97 140
96 7.25 73
105 2.23 22
107 5.01 50
108 2.33 23
121 38.27 383
122 4.02 40
136 41.81 418
137 5.28 53
139 6.89 69
154 0.35 4
//