MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009139
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009139
RECORD_TITLE: 1,3-BUTANEDIOL; 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$NAME: 1,3-BUTANEDIOL
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-002g-9000000000-3c919c2dc91ea11f9690
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 7.2 72
19 20.71 207
26 3.11 31
27 23.27 233
28 25.94 259
29 26.87 269
30 1.13 11
31 30.49 305
39 8.41 84
40 1.56 16
41 12.79 128
42 14.35 144
43 99.99 999
44 21.83 218
45 90.33 903
46 5.21 52
47 1.82 18
55 4.82 48
57 24.89 249
71 1.86 19
72 29.22 292
73 1.66 17
75 8.36 84
//