MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009813
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009813
RECORD_TITLE: 6-(3-METHYL-2-BUTENOXY)-4-METHYL-5,6-DIHYDRO-2H-PYRAN; 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$NAME: 6-(3-METHYL-2-BUTENOXY)-4-METHYL-5,6-DIHYDRO-2H-PYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18O2
CH$EXACT_MASS: 182.13068
CH$SMILES: CC(C)=CCOC(O1)CC(C)=CC1
CH$IUPAC: InChI=1S/C11H18O2/c1-9(2)4-6-12-11-8-10(3)5-7-13-11/h4-5,11H,6-8H2,1-3H3
CH$LINK: INCHIKEY
MSJLAJXSUADVQP-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:101588447
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$SPLASH: splash10-0077-9000000000-9dae300b90be8d38bac1
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
26 3.9 39
27 32.8 328
28 7 70
29 2.27 23
31 11.6 116
32 10.6 106
37 3.3 33
38 0.92 9
39 64.2 642
40 27.8 278
41 85.9 859
42 1.33 13
43 37.5 375
44 4.7 47
45 4.7 47
50 0.75 8
51 10.8 108
52 4.4 44
53 53.9 539
54 0.44 4
55 11.4 114
56 1.9 19
57 4.7 47
63 0.28 3
65 13.9 139
66 5 50
67 45 450
68 2.09 21
69 16.6 166
71 99.99 999
72 4.8 48
77 0.22 2
81 51.4 514
82 3 30
83 2.7 27
84 0.17 2
85 5.3 53
86 26.6 266
95 57.2 572
96 9.38 94
97 62.3 623
98 4.4 44
113 8.8 88
//