MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009997
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009997
RECORD_TITLE: -METHYLBUTANE-1,3-DIOL; 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$NAME: -METHYLBUTANE-1,3-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12O2
CH$EXACT_MASS: 104.08373
CH$SMILES: OCC(C)C(C)O
CH$IUPAC: InChI=1S/C5H12O2/c1-4(3-6)5(2)7/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY
GNBPEYCZELNJMS-UHFFFAOYSA-N
AC$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: splash10-0a4i-9000000000-ae5f167807d7a2f8d7ad
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
27 8 80
29 7.2 72
31 29.1 291
39 0.77 8
40 2 20
41 28.3 283
42 4.5 45
43 9.28 93
44 3 30
45 3.8 38
53 3.1 31
55 0.45 5
56 7.5 75
57 3 30
58 20.5 205
59 99.99 999
60 4.4 44
61 2 20
67 1.6 16
68 0.23 2
69 9.7 97
71 27.7 277
72 2.2 22
73 0.48 5
86 4.5 45
89 21.1 211
115 5.3 53
//
system version 2.2.6-SNAPSHOT