MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006292
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006292
RECORD_TITLE: L-ASCORBIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: L-ASCORBIC ACID
CH$NAME: VITAMIN C
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8O6
CH$EXACT_MASS: 176.03209
CH$SMILES: OCC(O)C(O1)C(O)=C(O)C(=O)1
CH$IUPAC: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
CH$LINK: CAS
50-81-7
CH$LINK: INCHIKEY
CIWBSHSKHKDKBQ-JLAZNSOCSA-N
CH$LINK: COMPTOX
DTXSID5020106
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$SPLASH: splash10-004i-4900000000-e99089fd55560fb70cfe
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
15 1.18 12
30 0.98 10
31 5.83 58
39 1.32 13
41 0.72 7
42 1.73 17
43 10.57 106
44 1.91 19
45 2.56 26
53 0.59 6
54 1.2 12
55 4.65 47
56 0.99 10
57 1.42 14
58 2.28 23
59 1.21 12
60 1.12 11
61 4.13 41
68 0.65 7
69 1.92 19
70 2.69 27
71 5.02 50
72 0.95 10
73 1.92 19
74 0.52 5
76 1.05 11
81 0.94 9
83 0.55 6
84 0.87 9
85 9.73 97
86 0.52 5
87 1.74 17
88 0.6 6
89 0.94 9
91 1.17 12
95 2.71 27
97 1.72 17
100 1.3 13
101 2.64 26
102 1.78 18
113 2.77 28
115 3.83 38
116 17.04 170
117 1.16 12
119 3.01 30
129 2.76 28
130 0.66 7
131 2.15 22
141 9.46 95
142 0.7 7
159 4.79 48
161 0.72 7
176 2.74 27
177 99.99 999
178 7.11 71
179 1.5 15
//