MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008191
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008191
RECORD_TITLE: GLYCEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: GLYCEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H8O3
CH$EXACT_MASS: 92.04734
CH$SMILES: OCC(O)CO
CH$IUPAC: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
CH$LINK: CAS
56-81-5
CH$LINK: INCHIKEY
PEDCQBHIVMGVHV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9020663
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01ox-9000000000-3fe0c184a891364773a8
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 23.76 238
17 1.75 18
18 6.51 65
19 7.67 77
26 2.15 22
27 6.71 67
28 3.01 30
29 25.52 255
30 3.43 34
31 45.01 450
32 1.94 19
33 2.11 21
42 9.61 96
43 80.03 800
44 47.21 472
45 13.93 139
55 1.65 17
56 1.38 14
57 11.49 115
60 11.34 113
61 99.99 999
62 5.79 58
74 1.5 15
75 14.85 149
93 23.15 232
//
system version 2.2.6-SNAPSHOT