MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001283
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001283
RECORD_TITLE: DL-2-HYDROXYBUTANOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: DL-2-HYDROXYBUTANOIC ACID
CH$NAME: DL-2-HYDROXYBUTYRIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O3
CH$EXACT_MASS: 104.04734
CH$SMILES: CCC(O)C(O)=O
CH$IUPAC: InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
CH$LINK: COMPTOX
DTXSID8041903
CH$LINK: INCHIKEY
AFENDNXGAFYKQO-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:11266
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-9000000000-4d935da8e593ec61fd96
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 1.59 16
19 3.19 32
26 1.67 17
27 8.37 84
28 7.24 72
29 11.63 116
30 1.83 18
31 28.84 288
39 6.45 65
40 1.27 13
41 31.87 319
42 6.22 62
43 5.58 56
44 6.53 65
45 5.42 54
55 15.3 153
56 1.27 13
57 9.64 96
58 7.81 78
59 99.99 999
60 4.46 45
70 8.37 84
76 1.59 16
92 1.43 14
105 1 10
//
system version 2.2.6-SNAPSHOT