MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009717
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009717
RECORD_TITLE: 1,3-BUTANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 1,3-BUTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H10O2
CH$EXACT_MASS: 90.06808
CH$SMILES: OCCC(C)O
CH$IUPAC: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
CH$LINK: INCHIKEY
PUPZLCDOIYMWBV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8026773
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0007-9000000000-8ebe37c5aa22df7ae557
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
27 5.98 60
28 24.44 244
29 18.47 185
31 13.43 134
39 1.05 11
41 6.93 69
42 14.14 141
43 99.99 999
44 23.75 238
45 90.49 905
46 5.95 60
47 2.56 26
54 1.09 11
55 3.6 36
57 29.25 293
58 1.29 13
71 2.85 29
72 40.92 409
73 2.45 25
75 13.05 131
90 0.22 2
//