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. Author manuscript; available in PMC: 2008 Apr 30.
Published in final edited form as: J Am Soc Mass Spectrom. 2007 Mar 23;18(5):898–909. doi: 10.1016/j.jasms.2007.01.017

Table 2.

LC-MS/MS parameters for 64 folate compounds.

Compoundsa Parent
formula		 12C-parent
m/z		 13C-parent
m/z		 Collision
energy
(eV)		 12C-product
m/z		 13C-product
m/z		 Product formula RT
(minute)b
Pteroic acid C14H13N6O3+ 313.14 327.15 19 295.09 309.14 C14H11N6O2+ 6.5
pABGlu C12H15N2O5+ 267.1 279.14 18 120.02 127.07 C7H4O2+ 6.1
PteGlu C19H20N7O6+ 442.15 461.21 27 295.09 309.14 C14H11N6O2+ 6.6
H2PteGlu C19H22N7O6+ 444.16 463.23 27 178.07 185.1 C7H8N5O1+ 6.1
H4PteGlu C19H24N7O6+ 446.18 465.24 20 299.13 313.17 C14H15N6O2+ 6.2
5,10-CH=H4PteGlu C20H22N7O6+ 456.16 476.23 31 412.17 431.24 C19H22N7O4+ 6.2
5,10-CH2-H4PteGlu C20H24N7O6+ 458.18 478.25 23 311.13 326.18 C15H15N6O2+ 6.2
5-CH3-H4PteGlu C20H26N7O6+ 460.19 480.26 25 313.14 328.19 C15H17N6O2+ 6.2
5/10-CHO-H4PteGlu C20H24N7O7+ 474.17 494.24 20 327.12 342.17 C15H15N6O3+ 6.1
pABGlu2 C17H22N3O8+ 396.14 413.20 25 120.02 127.07 C7H4O2+ N/A
PteGlu2 C24H27N8O9+ 571.19 595.27 30 295.09 309.14 C14H11N6O2+ N/A
H2PteGlu2 C24H29N8O9+ 573.21 597.29 30 178.07 185.1 C7H8N5O1+ N/A
H4PteGlu2 C24H31N8O9+ 575.22 599.3 30 299.13 313.17 C14H15N6O2+ N/A
5,10-CH=H4PteGlu2 C25H29N8O9+ 585.22 610.29 30 412.17 431.24 C19H22N7O4+ N/A
5,10-CH2-H4PteGlu2 C25H31N8O9+ 587.22 612.31 30 311.13 326.18 C15H15N6O2+ N/A
5-CH3-H4PteGlu2 C25H33N8O9+ 589.24 614.32 25 313.14 328.19 C15H17N6O2+ 6.3
5/10-CHO-H4PteGlu2 C25H31N8O10+ 603.22 628.3 24 327.12 342.17 C15H15N6O3+ 6.2
pABGlu3 C22H29N4O11+ 525.18 547.26 35 120.02 127.07 C7H4O2+ 6.3
PteGlu3 C29H34N9O12+ 700.23 729.33 32 295.09 309.14 C14H11N6O2+ 7.0
H2PteGlu3 C29H36N9O12+ 702.25 731.35 35 178.07 185.1 C7H8N5O1+ 6.7
H4PteGlu3 C29H38N9O12+ 704.26 733.36 35 299.13 313.17 C14H15N6O2+ 6.7
5,10-CH=H4PteGlu3 C30H36N9O12+ 714.25 744.35 35 412.17 431.24 C19H22N7O4+ N/A
5,10-CH2-H4PteGlu3 C30H38N9O12+ 716.26 746.36 35 311.13 326.18 C15H15N6O2+ 6.8
5-CH3-H4PteGlu3 C30H40N9O12+ 718.28 748.38 32 313.14 328.19 C15H17N6O2+ 6.7
5/10-CHO-H4PteGlu3 C30H38N9O12+ 732.26 762.36 36 327.12 342.17 C15H15N6O3+ 6.6
pABGlu4 C27H36N5O14+ 654.23 681.32 43 120.02 127.07 C7H4O2+ N/A
PteGlu4 C34H41N10O15+ 829.28 863.39 34 295.09 309.14 C14H11N6O2+ N/A
H2PteGlu4 C34H43N10O15+ 831.29 865.41 40 178.07 185.1 C7H8N5O1+ 7.1
H4PteGlu4 C34H45N10O15+ 833.31 867.42 40 299.13 313.17 C14H15N6O2+ N/A
5,10-CH=H4PteGlu4 C35H43N10O15+ 843.29 878.41 40 412.17 431.24 C19H22N7O4+ N/A
5,10-CH2-H4PteGlu4 C35H45N10O15+ 845.31 880.42 40 311.13 326.18 C15H15N6O2+ 7.2
5-CH3-H4PteGlu4 C35H47N10O15+ 847.32 882.44 38 313.14 328.19 C15H17N6O2+ 7.1
5/10-CHO-H4PteGlu4 C35H45N10O16+ 861.3 896.42 45 327.12 342.17 C15H15N6O3+ 7.1
pABGlu5 C32H43N6O17+ 783.27 815.38 45 120.04 127.07 C7H4O2+ 7.0
PteGlu5 C39H48N11O18+ 958.32 997.45 20 295.09 309.14 C14H11N6O2+ N/A
H2PteGlu5 C39H50N11O18+ 960.33 999.46 20 178.07 185.1 C7H8N5O1+ 8.0
H4PteGlu5 C39H52N11O18+ 962.35 1001.5 20 299.13 313.17 C14H15N6O2+ N/A
5,10-CH=H4PteGlu5 C40H50N11O18+ 972.35 1012.5 20 412.17 431.24 C19H22N7O4+ N/A
5,10-CH2-H4PteGlu5 C40H52N11O18+ 974.35 1014.5 20 311.13 326.18 C15H15N6O2+ 7.8
5-CH3-H4PteGlu5 C40H54N11O18+ 976.36 1016.5 43 313.14 328.19 C15H17N6O2+ 7.6
5/10-CHO-H4PteGlu5 C40H52N11O19+ 990.34 1030.48 53 327.12 342.17 C15H15N6O3+ 7.6
pABGlu6 C37H50N7O20+ 912.31 949.44 48 120.02 127.07 C7H4O2+ N/A
PteGlu6 C44H55N12O21+ 1087.36 1131.51 21 295.09 309.14 C14H11N6O2+ N/A
H2PteGlu6 C44H57N12O21+ 1089.38 1133.52 21 178.07 185.1 C7H8N5O1+ N/A
H4PteGlu6 C44H59N12O21+ 1091.39 1135.54 21 299.13 313.17 C14H15N6O2+ N/A
5,10-CH=H4PteGlu6 C45H57N12O21+ 1101.38 1146.53 21 412.17 431.24 C19H22N7O4+ N/A
5,10-CH2-H4PteGlu6 C45H59N12O21+ 1103.39 1148.54 21 311.13 326.18 C15H15N6O2+ N/A
5-CH3-H4PteGlu6 C45H61N12O21+ 1105.41 1150.56 21 313.14 328.19 C15H17N6O2+ 8.3
5/10-CHO-H4PteGlu6 C45H59N12O22+ 1119.39 1164.54 25 327.12 342.17 C15H15N6O3+ N/A
pABGlu7 C42H58N8O232+ 521.17 542.25 30 120.02 127.07 C7H4O2+ 9.0
PteGlu7 C49H63N13O242+ 608.7 633.29 22 295.09 309.14 C14H11N6O2+ N/A
H2PteGlu7 C49H65N13O242+ 609.71 634.29 22 178.07 185.1 C7H8N5O1+ N/A
H4PteGlu7 C49H67N13O242+ 610.71 635.3 22 299.13 313.17 C14H15N6O2+ N/A
5,10-CH=H4PteGlu7 C50H65N13O242+ 615.71 640.80 22 412.17 431.24 C19H22N7O4+ N/A
5,10-CH2-H4PteGlu7 C50H67N13O242+ 616.71 641.8 22 311.13 326.18 C15H15N6O2+ N/A
5-CH3-H4PteGlu7 C50H69N13O242+ 617.72 642.81 22 313.14 328.19 C15H17N6O2+ 9.6
5/10-CHO-H4PteGlu7 C50H67N13O252+ 624.71 649.8 26 327.12 342.17 C15H15N6O3+ N/A
PteGlu8 C54H70N14O272+ 673.22 700.32 23 295.09 309.14 C14H11N6O2+ N/A
H2PteGlu8 C54H72N14O272+ 674.23 701.32 23 178.07 185.1 C7H8N5O1+ N/A
H4PteGlu8 C54H74N14O272+ 675.23 702.33 23 299.13 313.17 C14H15N6O2+ N/A
5,10-CH=H4PteGlu8 C55H72N14O272+ 680.23 707.83 23 412.17 431.24 C19H22N7O4+ N/A
5,10-CH2-H4PteGlu8 C55H74N14O272+ 681.23 708.84 23 311.13 326.18 C15H15N6O2+ N/A
5-CH3-H4PteGlu8 C55H76N14O272+ 682.24 709.84 23 313.14 328.19 C15H17N6O2+ N/A
5/10-CHO-H4PteGlu8 C55H74N14O282+ 689.23 716.83 27 327.12 342.17 C15H15N6O3+ N/A
a

While we used 5-CHO-H4PteGlun for method development, our LC-MS/MS approach may not distinguish between the isomers 5-CHO-H4PteGlun and 10-CHO-H4PteGlun. Therefore, these compounds are listed together.

b

RT has a typical error of ±0.5 min. N/A: not available because standard is not available nor is signal detected in cellular extracts.