MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011909
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011909
RECORD_TITLE: GLYCOLIC 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$NAME: GLYCOLIC ACID
CH$NAME: HYDROXYACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H4O3
CH$EXACT_MASS: 76.01604
CH$SMILES: OCC(O)=O
CH$IUPAC: InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
CH$LINK: CAS
79-14-1
CH$LINK: NIKKAJI
J1.494J
CH$LINK: INCHIKEY
AEMRFAOFKBGASW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0025363
AC$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: splash10-001i-9000000000-e66ed28d8419895e0fb4
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
14 1.34 13
19 3.4 34
28 3.12 31
29 27.06 271
30 5.3 53
31 99.99 999
32 31.97 320
42 2.45 25
44 1.65 17
45 12.5 125
46 1.25 13
47 1.72 17
49 14.08 141
77 10.01 100
//
system version 2.2.6-SNAPSHOT