MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004370
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004370
RECORD_TITLE: BENZOIN TETRAHYDROPYRAN-2-YL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAGIWARA H, CHEM. RES. INST. OF NON-AQUEOUS SOLUTIONS, TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BENZOIN TETRAHYDROPYRAN-2-YL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H20O3
CH$EXACT_MASS: 296.14124
CH$SMILES: C(C3)COC(C3)OC(c(c2)cccc2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H20O3/c20-18(15-9-3-1-4-10-15)19(16-11-5-2-6-12-16)22-17-13-7-8-14-21-17/h1-6,9-12,17,19H,7-8,13-14H2
CH$LINK: INCHIKEY
DNNDHIKCLIZHBH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30885968
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0a6r-9700000000-c389ff4c74bd630eb575
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 3.06 31
28 2.94 29
29 2.19 22
39 3.33 33
50 7.35 74
51 27.81 278
52 3.15 32
53 0.79 8
63 1.73 17
74 2 20
75 1.72 17
76 2.7 27
77 71.8 718
78 9.3 93
79 29.34 293
80 2.28 23
89 1.14 11
105 99.99 999
106 11.42 114
107 33.64 336
108 3.26 33
165 1.2 12
210 1.78 18
212 1.38 14
//