MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009219
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009219
RECORD_TITLE: CARVACROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: CARVACROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: CC(C)c(c1)cc(O)c(C)c1
CH$IUPAC: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
CH$LINK: INCHIKEY
RECUKUPTGUEGMW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6042074
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$SPLASH: splash10-000i-6900000000-b77d2bc899f0364b95e6
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
15 2.19 22
27 9.67 97
29 1.94 19
38 1.14 11
39 12.6 126
40 1.35 14
41 8.8 88
43 2.32 23
50 2.58 26
51 8.52 85
52 3.67 37
53 5.84 58
55 2.54 25
63 4.2 42
64 1.02 10
65 6.14 61
66 2.21 22
67 1.56 16
68 1.52 15
74 1.13 11
77 14.37 144
78 4.36 44
79 8.44 84
89 1.29 13
91 21.68 217
92 2.14 21
94 1.02 10
95 1.02 10
103 2.08 21
105 5.86 59
106 1.27 13
107 9.06 91
108 2.09 21
109 1.14 11
115 6.04 60
116 1.43 14
117 5.32 53
120 1.58 16
121 3.84 38
133 2.48 25
134 1.82 18
135 99.99 999
136 9.63 96
149 1.31 13
150 30.35 304
151 3.57 36
//