MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002876
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002876
RECORD_TITLE: GAMMA-HEXALACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: GAMMA-HEXALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O2
CH$EXACT_MASS: 114.06808
CH$SMILES: CCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
CH$LINK: INCHIKEY
JBFHTYHTHYHCDJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8041298
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0570-9000000000-33d7bffec7b90b244b58
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
15 2.86 29
26 5.01 50
27 21.43 214
28 31.33 313
29 96.43 964
30 3.83 38
31 2.65 27
38 2.72 27
39 9.32 93
40 2.16 22
41 10.88 109
42 23.87 239
43 3.75 38
55 15.11 151
56 39.94 399
57 38.85 389
58 3.82 38
59 4.07 41
70 16.84 168
85 99.99 999
86 10.87 109
114 2.61 26
//