MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008724
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008724
RECORD_TITLE: GAMMA-BUTYROLACTONE; 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$NAME: GAMMA-BUTYROLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6O2
CH$EXACT_MASS: 86.03678
CH$SMILES: O=C(C1)OCC1
CH$IUPAC: InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
CH$LINK: INCHIKEY
YEJRWHAVMIAJKC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6020224
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$SPLASH: splash10-002f-9000000000-d3df175d3315ed446e14
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
13 1.02 10
14 2.64 26
15 2.1 21
26 15.16 152
27 31.8 318
28 70.11 701
29 28.31 283
30 3.18 32
31 2.5 25
37 3.06 31
38 3.81 38
39 14.38 144
40 11.36 114
41 40.86 409
42 99.99 999
43 3.03 30
44 2.17 22
53 2.27 23
55 5.71 57
56 19.91 199
57 5.12 51
85 7.09 71
86 21.52 215
87 1.47 15
//