MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009992
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009992
RECORD_TITLE: 4-METHYLTETRAHYDROPYRAN; 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$NAME: 4-METHYLTETRAHYDROPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: CC(C1)CCOC1
CH$IUPAC: InChI=1S/C6H12O/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3
CH$LINK: INCHIKEY
OVRKATYHWPCGPZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10197056
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$SPLASH: splash10-052g-9000000000-e5c6f48a406e81ded687
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
26 3.6 36
27 15.1 151
28 7.7 77
29 1.21 12
31 5.6 56
38 3.7 37
39 17.1 171
40 0.37 4
41 35.1 351
42 94.2 942
43 25.8 258
44 0.45 5
45 25 250
50 3.4 34
51 1.2 12
53 0.6 6
54 7.1 71
55 99.99 999
56 13.5 135
57 1.1 11
58 5.1 51
67 35.1 351
68 10.4 104
69 1.21 12
70 38.2 382
71 9.3 93
81 9.9 99
82 2.9 29
83 5.1 51
85 6.2 62
99 91 910
100 7.1 71
101 4.9 49
104 2.7 27
//