MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007407
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007407
RECORD_TITLE: DECAHYDROBENZOPYRAN; 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$NAME: DECAHYDROBENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O
CH$EXACT_MASS: 140.12012
CH$SMILES: C(C2)CC(C1)C(C2)OCC1
CH$IUPAC: InChI=1S/C9H16O/c1-2-6-9-8(4-1)5-3-7-10-9/h8-9H,1-7H2
CH$LINK: INCHIKEY
AXRTUWDQQWPLQU-UHFFFAOYSA-N
AC$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: splash10-0002-9100000000-9e072a9091de7c1482c2
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
27 8.89 89
28 2.54 25
29 5.93 59
31 1.27 13
32 0.95 10
39 8.99 90
40 1.9 19
41 21.48 215
42 3.49 35
43 4.23 42
51 1.48 15
52 1.06 11
53 4.34 43
54 6.24 62
55 10.37 104
56 2.86 29
57 2.33 23
58 0.74 7
65 1.27 13
66 1.27 13
67 11.22 112
68 3.6 36
69 8.15 82
70 2.01 20
71 2.33 23
77 1.69 17
78 0.85 9
79 6.03 60
80 2.22 22
81 6.67 67
82 2.33 23
83 5.4 54
84 3.17 32
91 0.85 9
93 2.12 21
94 2.12 21
95 2.22 22
96 1.69 17
97 99.99 999
98 11 110
99 1.06 11
107 0.85 9
109 0.63 6
110 0.53 5
111 1.06 11
121 0.63 6
122 0.63 6
139 3.28 33
140 33.01 330
141 3.7 37
//
system version 2.2.6-SNAPSHOT