MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010005
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010005
RECORD_TITLE: 4-METHYLTETRAHYDROPYRAN-4-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYLTETRAHYDROPYRAN-4-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CC(O)(C1)CCOC1
CH$IUPAC: InChI=1S/C6H12O2/c1-6(7)2-4-8-5-3-6/h7H,2-5H2,1H3
CH$LINK: INCHIKEY
DCUYGCJQVJXUHU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70492877
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-006x-9000000000-216870e5e6ea68b74072
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
26 1.3 13
27 8.4 84
28 13.4 134
29 1 10
30 2.7 27
31 10 100
39 5.8 58
40 0.16 2
41 14.3 143
42 7.8 78
43 99.99 999
44 0.49 5
45 8.2 82
53 10.3 103
55 13.8 138
56 0.45 5
57 7.8 78
58 35.9 359
59 4.2 42
60 0.13 1
61 35.6 356
67 2.9 29
68 2.3 23
69 0.64 6
70 33.4 334
71 29.5 295
72 15.9 159
73 1.81 18
81 1.3 13
83 25.3 253
84 1.3 13
87 0.95 10
88 9.6 96
89 1.3 13
97 1.2 12
98 3.05 31
99 2.6 26
101 16.6 166
//