MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009990
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009990
RECORD_TITLE: PENTANE-1,5-DIAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: PENTANE-1,5-DIAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O2
CH$EXACT_MASS: 100.05243
CH$SMILES: O=CCCCC=O
CH$IUPAC: InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
CH$LINK: INCHIKEY
SXRSQZLOMIGNAQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6025355
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0006-9000000000-0a4ee2dd933655592450
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
26 3.3 33
27 34.3 343
28 9.4 94
29 3.17 32
30 1.1 11
31 3.3 33
37 1.1 11
38 0.21 2
39 16.2 162
40 2 20
41 33.1 331
42 0.82 8
43 35.1 351
44 99.99 999
45 3.5 35
53 0.31 3
54 3.5 35
55 8.5 85
56 1.8 18
57 2.24 22
58 1.1 11
71 3.5 35
72 36.4 364
73 0.16 2
81 8.5 85
82 36.2 362
83 2.1 21
//
system version 2.2.8-SNAPSHOT