MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008725
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008725
RECORD_TITLE: GAMMA-VALEROLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: GAMMA-VALEROLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O2
CH$EXACT_MASS: 100.05243
CH$SMILES: CC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
CH$LINK: INCHIKEY
GAEKPEKOJKCEMS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0047618
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-056u-9000000000-7c79f68cacbc95c0ea48
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
14 3.65 37
15 8.93 89
25 1.34 13
26 14.18 142
27 34.19 342
28 67.66 677
29 48.12 481
30 1.4 14
31 1.65 17
37 1.73 17
38 3.54 35
39 16.8 168
40 4.37 44
41 65.15 652
42 8.8 88
43 38.21 382
44 4.44 44
45 4.5 45
50 2.74 27
51 3.06 31
53 3.17 32
54 2.06 21
55 9.84 98
56 99.99 999
57 11.34 113
71 1.83 18
85 57.58 576
86 1.58 16
99 3.41 34
100 7.08 71
//
system version 2.2.6-SNAPSHOT