MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011926
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011926
RECORD_TITLE: LACTIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: LACTIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O3
CH$EXACT_MASS: 90.03169
CH$SMILES: CC(O)C(O)=O
CH$IUPAC: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
CH$LINK: CAS
50-21-5
CH$LINK: INCHIKEY
JVTAAEKCZFNVCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7023192
AC$INSTRUMENT: HITACHI M-2500
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: splash10-00kb-9000000000-e9462d6d6eeac598b73b
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
14 2.88 29
15 9.09 91
17 10.38 104
18 45.11 451
19 15.99 160
26 4.16 42
27 16.85 169
28 5.75 58
29 20.61 206
30 1.58 16
42 2.46 25
43 12.95 130
44 3.17 32
45 99.99 999
46 2.77 28
55 1.77 18
56 2.27 23
74 4.18 42
89 1.11 11
//