MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009492
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009492
RECORD_TITLE: L-PROLINE; 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$NAME: L-PROLINE
CH$NAME: (S)-(-)-PROLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO2
CH$EXACT_MASS: 115.06333
CH$SMILES: OC(=O)C([H])(C1)NCC1
CH$IUPAC: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
CH$LINK: CAS
147-85-3
CH$LINK: INCHIKEY
ONIBWKKTOPOVIA-BYPYZUCNSA-N
CH$LINK: COMPTOX
DTXSID5044021
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$SPLASH: splash10-00fu-9000000000-716c3d01b301162863b6
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
14 1.2 12
15 4.96 50
17 0.96 10
18 3.32 33
26 3.22 32
27 11.87 119
28 43.71 437
29 4.18 42
30 5.52 55
37 1.27 13
38 2.94 29
39 15.08 151
40 4.6 46
41 31.9 319
42 10.06 101
43 26.51 265
44 2.57 26
45 18.4 184
53 1.23 12
54 1.1 11
67 1.34 13
68 13.78 138
69 5.22 52
70 99.99 999
71 5.08 51
115 0.96 10
116 0.9 9
//