MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004576
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004576
RECORD_TITLE: TETRAHYDRO-2-PYRONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TETRAHYDRO-2-PYRONE
CH$NAME: TETRAHYDROPYRAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O2
CH$EXACT_MASS: 100.05243
CH$SMILES: O=C(C1)OCCC1
CH$IUPAC: InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
CH$LINK: CAS
542-28-9
CH$LINK: INCHIKEY
OZJPLYNZGCXSJM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6044438
AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0006-9100000000-5cbf9b97b1ef90d8f999
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
37 2.1 21
38 3.5 35
39 22 220
41 8.28 83
42 99.99 999
43 8.8 88
44 12.3 123
45 0.58 6
47 0.6 6
48 1 10
50 1.7 17
51 0.17 2
53 1.7 17
54 1.3 13
55 18.9 189
56 6.95 70
57 3.4 34
68 0.8 8
70 15.1 151
71 0.32 3
73 0.9 9
75 0.8 8
76 0.9 9
81 0.07 1
83 3.1 31
85 1.9 19
86 0.6 6
99 0.07 1
100 24.1 241
101 1.4 14
//